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

Systemtic Name: ethyl 1-[(1R)-2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C24H27N2O3+ MolecularWeight: 391.48278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O3/c1-2-29-24(28)18-12-14-26(15-13-18)22(17-8-4-3-5-9-17)23(27)20-16-25-21-11-7-6-10-19(20)21/h3-11,16,18,22,25H,2,12-15H2,1H3/p+1/t22-/m1/s1