ethyl 1-(1H-indol-3-ylmethyl)-4-(phenylmethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-(1H-indol-3-ylmethyl)-4-(phenylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-benzyl-1-(1H-indol-3-ylmethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-(1H-indol-3-ylmethyl)-4-(phenylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-1-(1H-indol-3-ylmethyl)piperidin-1-ium-4-carboxylate Traditional Name: 4-benzyl-1-(1H-indol-3-ylmethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C24H29N2O2+ MolecularWeight: 377.49926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C24H28N2O2/c1-2-28-23(27)24(16-19-8-4-3-5-9-19)12-14-26(15-13-24)18-20-17-25-22-11-7-6-10-21(20)22/h3-11,17,25H,2,12-16,18H2,1H3/p+1