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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(=O)C2=C(N(C3=CC=CC=C32)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)C2=C(N(C3=CC=CC=C32)C)C4=CC=CC=C4

InChI

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