(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-[2-(1-cyclohexenyl)ethyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propionamide Formula: C19H30N5O+ MolecularWeight: 344.4744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CCCCC1)[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

C[C@H](C(=O)NCCC1=CCCCC1)[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C19H29N5O/c1-16(18(25)20-11-8-17-6-3-2-4-7-17)23-12-14-24(15-13-23)19-21-9-5-10-22-19/h5-6,9-10,16H,2-4,7-8,11-15H2,1H3,(H,20,25)/p+1/t16-/m1/s1