(2R)-N-[(1S,2S)-2-methylcyclohexyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-[(1S,2S)-2-methylcyclohexyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-[(1S,2S)-2-methylcyclohexyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-[(1S,2S)-2-methylcyclohexyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-[(1S,2S)-2-methylcyclohexyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-[(1S,2S)-2-methylcyclohexyl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propionamide Formula: C18H30N5O+ MolecularWeight: 332.4637

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(C)[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C18H29N5O/c1-14-6-3-4-7-16(14)21-17(24)15(2)22-10-12-23(13-11-22)18-19-8-5-9-20-18/h5,8-9,14-16H,3-4,6-7,10-13H2,1-2H3,(H,21,24)/p+1/t14-,15+,16-/m0/s1