methyl 1-[(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenyl-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1S)-2-(7-ethyl-1H-indol-3-yl)-2-keto-1-phenyl-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C25H29N2O3+ MolecularWeight: 405.50936

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)C(C3=CC=CC=C3)[NH+]4CCC(CC4)C(=O)OC

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)[C@H](C3=CC=CC=C3)[NH+]4CCC(CC4)C(=O)OC

InChI

InChI=1S/C25H28N2O3/c1-3-17-10-7-11-20-21(16-26-22(17)20)24(28)23(18-8-5-4-6-9-18)27-14-12-19(13-15-27)25(29)30-2/h4-11,16,19,23,26H,3,12-15H2,1-2H3/p+1/t23-/m0/s1