4-[[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylazaniumyl]methyl]benzoate Openeye Name: 4-[[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylammonio]methyl]benzoate CAS Name: 4-[[[1-[(2-chlorophenyl)methyl]-3-indolyl]methylammonio]methyl]benzoate IUPAC Name: 4-[[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylazaniumyl]methyl]benzoate Traditional Name: 4-[[[1-(2-chlorobenzyl)indol-3-yl]methylammonio]methyl]benzoate Formula: C24H21ClN2O2 MolecularWeight: 404.88874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C=C(C3=CC=CC=C32)C[NH2+]CC4=CC=C(C=C4)C(=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)CN2C=C(C3=CC=CC=C32)C[NH2+]CC4=CC=C(C=C4)C(=O)[O-])Cl

InChI

InChI=1S/C24H21ClN2O2/c25-22-7-3-1-5-19(22)15-27-16-20(21-6-2-4-8-23(21)27)14-26-13-17-9-11-18(12-10-17)24(28)29/h1-12,16,26H,13-15H2,(H,28,29)