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

Systemtic Name: ethyl 4-(cyclopropylmethyl)-1-[(2R)-4-(1H-indol-3-yl)butan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-(cyclopropylmethyl)-1-[(1R)-3-(1H-indol-3-yl)-1-methyl-propyl]piperidin-1-ium-4-carboxylate CAS Name: 4-(cyclopropylmethyl)-1-[(2R)-4-(1H-indol-3-yl)butan-2-yl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(cyclopropylmethyl)-1-[(2R)-4-(1H-indol-3-yl)butan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 4-(cyclopropylmethyl)-1-[(1R)-3-(1H-indol-3-yl)-1-methyl-propyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C24H35N2O2+ MolecularWeight: 383.5469

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)C(C)CCC2=CNC3=CC=CC=C32)CC4CC4

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)[C@H](C)CCC2=CNC3=CC=CC=C32)CC4CC4

InChI

InChI=1S/C24H34N2O2/c1-3-28-23(27)24(16-19-9-10-19)12-14-26(15-13-24)18(2)8-11-20-17-25-22-7-5-4-6-21(20)22/h4-7,17-19,25H,3,8-16H2,1-2H3/p+1/t18-/m1/s1