methyl 1-[(1R)-2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[(1R)-2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenyl-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1R)-2-(1H-indol-3-yl)-2-keto-1-phenyl-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C23H25N2O3+ MolecularWeight: 377.4562

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)C(C2=CC=CC=C2)C(=O)C3=CNC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)[C@H](C2=CC=CC=C2)C(=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C23H24N2O3/c1-28-23(27)17-11-13-25(14-12-17)21(16-7-3-2-4-8-16)22(26)19-15-24-20-10-6-5-9-18(19)20/h2-10,15,17,21,24H,11-14H2,1H3/p+1/t21-/m1/s1