(2R)-2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-N-(2-phenylsulfanylphenyl)propanamide

Systemtic Name: (2R)-2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-N-(2-phenylsulfanylphenyl)propanamide Openeye Name: (2R)-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylphenyl)propanamide CAS Name: (2R)-2-[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]-N-[2-(phenylthio)phenyl]propanamide IUPAC Name: (2R)-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylphenyl)propanamide Traditional Name: (2R)-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-[2-(phenylthio)phenyl]propionamide Formula: C23H28N3O2S+ MolecularWeight: 410.55232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC2=CC=CC=C2)[NH+]3CCN(CC3)C(=O)C4CC4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1SC2=CC=CC=C2)[NH+]3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C23H27N3O2S/c1-17(25-13-15-26(16-14-25)23(28)18-11-12-18)22(27)24-20-9-5-6-10-21(20)29-19-7-3-2-4-8-19/h2-10,17-18H,11-16H2,1H3,(H,24,27)/p+1/t17-/m1/s1