4-[(3-carboxylato-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylate; 4-(1,6-dimethylquinolin-1-ium-2-yl)-N,N-dimethyl-aniline

Systemtic Name: 4-[(3-carboxylato-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylate; 4-(1,6-dimethylquinolin-1-ium-2-yl)-N,N-dimethyl-aniline Openeye Name: 4-[(3-carboxylato-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-naphthalene-2-carboxylate; 4-(1,6-dimethylquinolin-1-ium-2-yl)-N,N-dimethyl-aniline CAS Name: 4-[(3-carboxylato-2-hydroxy-1-naphthalenyl)methyl]-3-hydroxy-2-naphthalenecarboxylate; 4-(1,6-dimethyl-2-quinolin-1-iumyl)-N,N-dimethylaniline IUPAC Name: 4-[(3-carboxylato-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylate; 4-(1,6-dimethylquinolin-1-ium-2-yl)-N,N-dimethylaniline Traditional Name: 4-[(3-carboxylato-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-2-naphthoate; [4-(1,6-dimethylquinolin-1-ium-2-yl)phenyl]-dimethyl-amine Formula: C61H56N4O6 MolecularWeight: 941.12054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[N+](=C(C=C2)C3=CC=C(C=C3)N(C)C)C.CC1=CC2=C(C=C1)[N+](=C(C=C2)C3=CC=C(C=C3)N(C)C)C.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)[O-])O)O)C(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)[N+](=C(C=C2)C3=CC=C(C=C3)N(C)C)C.CC1=CC2=C(C=C1)[N+](=C(C=C2)C3=CC=C(C=C3)N(C)C)C.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)[O-])O)O)C(=O)[O-]

InChI

InChI=1S/C23H16O6.2C19H21N2/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;2*1-14-5-11-19-16(13-14)8-12-18(21(19)4)15-6-9-17(10-7-15)20(2)3/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2*5-13H,1-4H3/q;2*+1/p-2