(2R)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(thiophen-2-ylmethyl)propanamide

Systemtic Name: (2R)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(thiophen-2-ylmethyl)propanamide Openeye Name: (2R)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2-thienylmethyl)propanamide CAS Name: (2R)-2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-N-(thiophen-2-ylmethyl)propanamide IUPAC Name: (2R)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(thiophen-2-ylmethyl)propanamide Traditional Name: (2R)-2-(4-o-phenetylpiperazin-1-ium-1-yl)-N-(2-thenyl)propionamide Formula: C20H28N3O2S+ MolecularWeight: 374.52022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)C(C)C(=O)NCC3=CC=CS3

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)[C@H](C)C(=O)NCC3=CC=CS3

InChI

InChI=1S/C20H27N3O2S/c1-3-25-19-9-5-4-8-18(19)23-12-10-22(11-13-23)16(2)20(24)21-15-17-7-6-14-26-17/h4-9,14,16H,3,10-13,15H2,1-2H3,(H,21,24)/p+1/t16-/m1/s1