(2S)-N-(cyclopentylcarbamoyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(cyclopentylcarbamoyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(cyclopentylcarbamoyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-[(cyclopentylamino)-oxomethyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(cyclopentylcarbamoyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(cyclopentylcarbamoyl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propionamide Formula: C17H27N6O2+ MolecularWeight: 347.43528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCC1)[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC1CCCC1)[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C17H26N6O2/c1-13(15(24)21-17(25)20-14-5-2-3-6-14)22-9-11-23(12-10-22)16-18-7-4-8-19-16/h4,7-8,13-14H,2-3,5-6,9-12H2,1H3,(H2,20,21,24,25)/p+1/t13-/m0/s1