(2S)-N-phenyl-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)butanamide

Systemtic Name: (2S)-N-phenyl-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)butanamide Openeye Name: (2S)-N-phenyl-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]butanamide CAS Name: (2S)-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]-N-phenylbutanamide IUPAC Name: (2S)-N-phenyl-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]butanamide Traditional Name: (2S)-N-phenyl-2-[4-(2-thenoyl)piperazin-1-ium-1-yl]butyramide Formula: C19H24N3O2S+ MolecularWeight: 358.47776

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1)[NH+]2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CC[C@@H](C(=O)NC1=CC=CC=C1)[NH+]2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C19H23N3O2S/c1-2-16(18(23)20-15-7-4-3-5-8-15)21-10-12-22(13-11-21)19(24)17-9-6-14-25-17/h3-9,14,16H,2,10-13H2,1H3,(H,20,23)/p+1/t16-/m0/s1