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

Systemtic Name: ethyl 1-[(S)-(2-methyl-1H-indol-3-yl)-thiophen-2-yl-methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(S)-(2-methyl-1H-indol-3-yl)-(2-thienyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(S)-(2-methyl-1H-indol-3-yl)-thiophen-2-ylmethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(S)-(2-methyl-1H-indol-3-yl)-thiophen-2-ylmethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(S)-(2-methyl-1H-indol-3-yl)-(2-thienyl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H27N2O2S+ MolecularWeight: 383.52698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)C(C2=CC=CS2)C3=C(NC4=CC=CC=C43)C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)[C@H](C2=CC=CS2)C3=C(NC4=CC=CC=C43)C

InChI

InChI=1S/C22H26N2O2S/c1-3-26-22(25)16-10-12-24(13-11-16)21(19-9-6-14-27-19)20-15(2)23-18-8-5-4-7-17(18)20/h4-9,14,16,21,23H,3,10-13H2,1-2H3/p+1/t21-/m1/s1