4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline; naphthalene-1,5-disulfonate

Systemtic Name: 4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline; naphthalene-1,5-disulfonate Openeye Name: 4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methyleneamino]aniline; naphthalene-1,5-disulfonate CAS Name: 4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethyl-2-indol-1-iumyl)methylideneamino]aniline; naphthalene-1,5-disulfonate IUPAC Name: 4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline; naphthalene-1,5-disulfonate Traditional Name: (4-methoxyphenyl)-methyl-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methyleneamino]amine; naphthalene-1,5-disulfonate Formula: C50H54N6O8S2 MolecularWeight: 931.12916

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2[N+](=C1C=NN(C)C3=CC=C(C=C3)OC)C)C.CC1(C2=CC=CC=C2[N+](=C1C=NN(C)C3=CC=C(C=C3)OC)C)C.C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC1(C(=[N+](C2=CC=CC=C12)C)/C=N/N(C3=CC=C(C=C3)OC)C)C.CC1(C(=[N+](C2=CC=CC=C12)C)/C=N/N(C3=CC=C(C=C3)OC)C)C.C1=CC2=C(C(=C1)S(=O)(=O)[O-])C=CC=C2S(=O)(=O)[O-]

InChI

InChI=1S/2C20H24N3O.C10H8O6S2/c2*1-20(2)17-8-6-7-9-18(17)22(3)19(20)14-21-23(4)15-10-12-16(24-5)13-11-15;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h2*6-14H,1-5H3;1-6H,(H,11,12,13)(H,14,15,16)/q2*+1;/p-2