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

Systemtic Name: (2S)-N-phenyl-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-phenyl-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]-N-phenylpropanamide IUPAC Name: (2S)-N-phenyl-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-phenyl-2-[4-(2-thenoyl)piperazin-1-ium-1-yl]propionamide Formula: C18H22N3O2S+ MolecularWeight: 344.45118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O2S/c1-14(17(22)19-15-6-3-2-4-7-15)20-9-11-21(12-10-20)18(23)16-8-5-13-24-16/h2-8,13-14H,9-12H2,1H3,(H,19,22)/p+1/t14-/m0/s1