O3-ethyl O6-methyl 4-[bis(phenylmethyl)amino]quinolin-1-ium-3,6-dicarboxylate

Systemtic Name: O3-ethyl O6-methyl 4-[bis(phenylmethyl)amino]quinolin-1-ium-3,6-dicarboxylate Openeye Name: O3-ethyl O6-methyl 4-(dibenzylamino)quinolin-1-ium-3,6-dicarboxylate CAS Name: 4-[bis(phenylmethyl)amino]quinolin-1-ium-3,6-dicarboxylic acid O3-ethyl ester O6-methyl ester IUPAC Name: 3-O-ethyl 6-O-methyl 4-(dibenzylamino)quinolin-1-ium-3,6-dicarboxylate Traditional Name: 4-(dibenzylamino)quinolin-1-ium-3,6-dicarboxylic acid O3-ethyl ester O6-methyl ester Formula: C28H27N2O4+ MolecularWeight: 455.52498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1N(CC3=CC=CC=C3)CC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1N(CC3=CC=CC=C3)CC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C28H26N2O4/c1-3-34-28(32)24-17-29-25-15-14-22(27(31)33-2)16-23(25)26(24)30(18-20-10-6-4-7-11-20)19-21-12-8-5-9-13-21/h4-17H,3,18-19H2,1-2H3/p+1