(2S)-N-(3-cyanophenyl)-2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(3-cyanophenyl)-2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(3-cyanophenyl)-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(3-cyanophenyl)-2-[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(3-cyanophenyl)-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(3-cyanophenyl)-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]propionamide Formula: C18H23N4O2+ MolecularWeight: 327.40082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)[NH+]2CCN(CC2)C(=O)C3CC3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC(=C1)C#N)[NH+]2CCN(CC2)C(=O)C3CC3

InChI

InChI=1S/C18H22N4O2/c1-13(17(23)20-16-4-2-3-14(11-16)12-19)21-7-9-22(10-8-21)18(24)15-5-6-15/h2-4,11,13,15H,5-10H2,1H3,(H,20,23)/p+1/t13-/m0/s1