(2R)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)propanamide

Systemtic Name: (2R)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)propanamide Openeye Name: (2R)-2-(4-benzoylpiperazin-1-ium-1-yl)-N-[2-(2-thienyl)ethyl]propanamide CAS Name: (2R)-2-(4-benzoyl-1-piperazin-1-iumyl)-N-(2-thiophen-2-ylethyl)propanamide IUPAC Name: (2R)-2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2-thiophen-2-ylethyl)propanamide Traditional Name: (2R)-2-(4-benzoylpiperazin-1-ium-1-yl)-N-[2-(2-thienyl)ethyl]propionamide Formula: C20H26N3O2S+ MolecularWeight: 372.50434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CS1)[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NCCC1=CC=CS1)[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H25N3O2S/c1-16(19(24)21-10-9-18-8-5-15-26-18)22-11-13-23(14-12-22)20(25)17-6-3-2-4-7-17/h2-8,15-16H,9-14H2,1H3,(H,21,24)/p+1/t16-/m1/s1