1-[10-(4-azanyl-2-methyl-quinolin-1-ium-1-yl)decyl]-2-methyl-quinolin-1-ium-4-amine; 2-oxidanidylbenzoate

Systemtic Name: 1-[10-(4-azanyl-2-methyl-quinolin-1-ium-1-yl)decyl]-2-methyl-quinolin-1-ium-4-amine; 2-oxidanidylbenzoate Openeye Name: 1-[10-(4-amino-2-methyl-quinolin-1-ium-1-yl)decyl]-2-methyl-quinolin-1-ium-4-amine; 2-oxidobenzoate CAS Name: 1-[10-(4-amino-2-methyl-1-quinolin-1-iumyl)decyl]-2-methyl-4-quinolin-1-iumamine; 2-oxidobenzoate IUPAC Name: 1-[10-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine; 2-oxidobenzoate Traditional Name: [1-[10-(4-amino-2-methyl-quinolin-1-ium-1-yl)decyl]-2-methyl-quinolin-1-ium-4-yl]amine; 2-oxidobenzoate Formula: C37H44N4O3 MolecularWeight: 592.77026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2C(=C1)N)CCCCCCCCCC[N+]3=C(C=C(C4=CC=CC=C43)N)C.C1=CC=C(C(=C1)C(=O)[O-])[O-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2C(=C1)N)CCCCCCCCCC[N+]3=C(C=C(C4=CC=CC=C43)N)C.C1=CC=C(C(=C1)C(=O)[O-])[O-]

InChI

InChI=1S/C30H38N4.C7H6O3/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34;8-6-4-2-1-3-5(6)7(9)10/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3;1-4,8H,(H,9,10)