(2R)-N-(cyclohexylcarbamoyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(cyclohexylcarbamoyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(cyclohexylcarbamoyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-[(cyclohexylamino)-oxomethyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(cyclohexylcarbamoyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-(cyclohexylcarbamoyl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propionamide Formula: C18H29N6O2+ MolecularWeight: 361.46186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCCC1)[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC1CCCCC1)[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C18H28N6O2/c1-14(16(25)22-18(26)21-15-6-3-2-4-7-15)23-10-12-24(13-11-23)17-19-8-5-9-20-17/h5,8-9,14-15H,2-4,6-7,10-13H2,1H3,(H2,21,22,25,26)/p+1/t14-/m1/s1