N-[(2S)-3-methyl-1-oxidanylidene-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]butan-2-yl]-2-phenoxy-ethanamide

Systemtic Name: N-[(2S)-3-methyl-1-oxidanylidene-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]butan-2-yl]-2-phenoxy-ethanamide Openeye Name: N-[(1S)-2-methyl-1-[4-(3-thienylmethyl)piperazin-4-ium-1-carbonyl]propyl]-2-phenoxy-acetamide CAS Name: N-[(2S)-3-methyl-1-oxo-1-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]butan-2-yl]-2-phenoxyacetamide IUPAC Name: N-[(2S)-3-methyl-1-oxo-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]butan-2-yl]-2-phenoxyacetamide Traditional Name: N-[(1S)-2-methyl-1-[4-(3-thenyl)piperazin-4-ium-1-carbonyl]propyl]-2-phenoxy-acetamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC[NH+](CC1)CC2=CSC=C2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CC[NH+](CC1)CC2=CSC=C2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3S/c1-17(2)21(23-20(26)15-28-19-6-4-3-5-7-19)22(27)25-11-9-24(10-12-25)14-18-8-13-29-16-18/h3-8,13,16-17,21H,9-12,14-15H2,1-2H3,(H,23,26)/p+1/t21-/m0/s1