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diethyl 4-[bis(phenylmethyl)amino]quinolin-1-ium-3,6-dicarboxylate

diethyl 4-[bis(phenylmethyl)amino]quinolin-1-ium-3,6-dicarboxylate

Systemtic Name:diethyl 4-[bis(phenylmethyl)amino]quinolin-1-ium-3,6-dicarboxylate
Openeye Name:diethyl 4-(dibenzylamino)quinolin-1-ium-3,6-dicarboxylate
CAS Name:4-[bis(phenylmethyl)amino]quinolin-1-ium-3,6-dicarboxylic acid diethyl ester
IUPAC Name:diethyl 4-(dibenzylamino)quinolin-1-ium-3,6-dicarboxylate
Traditional Name:4-(dibenzylamino)quinolin-1-ium-3,6-dicarboxylic acid diethyl ester
Formula: C29H29N2O4+
MolecularWeight: 469.55156
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C29H28N2O4/c1-3-34-28(32)23-15-16-26-24(17-23)27(25(18-30-26)29(33)35-4-2)31(19-21-11-7-5-8-12-21)20-22-13-9-6-10-14-22/h5-18H,3-4,19-20H2,1-2H3/p+1


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