(2S)-N-(1-cyanocyclohexyl)-2-(4-cyclopentylcarbonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(1-cyanocyclohexyl)-2-(4-cyclopentylcarbonylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(1-cyanocyclohexyl)-2-[4-(cyclopentanecarbonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(1-cyanocyclohexyl)-2-[4-[cyclopentyl(oxo)methyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(1-cyanocyclohexyl)-2-[4-(cyclopentanecarbonyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(1-cyanocyclohexyl)-2-[4-(cyclopentanecarbonyl)piperazin-1-ium-1-yl]propionamide Formula: C20H33N4O2+ MolecularWeight: 361.50162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)[NH+]2CCN(CC2)C(=O)C3CCCC3

Isomeric SMILES

C[C@@H](C(=O)NC1(CCCCC1)C#N)[NH+]2CCN(CC2)C(=O)C3CCCC3

InChI

InChI=1S/C20H32N4O2/c1-16(18(25)22-20(15-21)9-5-2-6-10-20)23-11-13-24(14-12-23)19(26)17-7-3-4-8-17/h16-17H,2-14H2,1H3,(H,22,25)/p+1/t16-/m0/s1