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

Systemtic Name: ethyl 1-[[1-(2-methoxy-2-oxidanylidene-ethyl)indol-3-yl]methyl]-4-(phenylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-benzyl-1-[[1-(2-methoxy-2-oxo-ethyl)indol-3-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[1-(2-methoxy-2-oxoethyl)-3-indolyl]methyl]-4-(phenylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-1-[[1-(2-methoxy-2-oxoethyl)indol-3-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 4-benzyl-1-[[1-(2-keto-2-methoxy-ethyl)indol-3-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C27H33N2O4+ MolecularWeight: 449.56192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CN(C3=CC=CC=C32)CC(=O)OC)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CN(C3=CC=CC=C32)CC(=O)OC)CC4=CC=CC=C4

InChI

InChI=1S/C27H32N2O4/c1-3-33-26(31)27(17-21-9-5-4-6-10-21)13-15-28(16-14-27)18-22-19-29(20-25(30)32-2)24-12-8-7-11-23(22)24/h4-12,19H,3,13-18,20H2,1-2H3/p+1