(2R)-N-(2-ethoxyphenyl)-2-phenyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: (2R)-N-(2-ethoxyphenyl)-2-phenyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: (2R)-N-(2-ethoxyphenyl)-2-phenyl-2-[4-(3-thienylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: (2R)-N-(2-ethoxyphenyl)-2-phenyl-2-[4-(3-thiophenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: (2R)-N-(2-ethoxyphenyl)-2-phenyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: (2R)-N-o-phenetyl-2-phenyl-2-[4-(3-thenyl)piperazin-1-ium-1-yl]acetamide Formula: C25H30N3O2S+ MolecularWeight: 436.5896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)[NH+]3CCN(CC3)CC4=CSC=C4

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)[C@@H](C2=CC=CC=C2)[NH+]3CCN(CC3)CC4=CSC=C4

InChI

InChI=1S/C25H29N3O2S/c1-2-30-23-11-7-6-10-22(23)26-25(29)24(21-8-4-3-5-9-21)28-15-13-27(14-16-28)18-20-12-17-31-19-20/h3-12,17,19,24H,2,13-16,18H2,1H3,(H,26,29)/p+1/t24-/m1/s1