N-butyl-N-(1-methyl-4-pyrimidin-2-yl-piperazin-1-ium-1-yl)cyclopentanecarboxamide

Systemtic Name: N-butyl-N-(1-methyl-4-pyrimidin-2-yl-piperazin-1-ium-1-yl)cyclopentanecarboxamide Openeye Name: N-butyl-N-(1-methyl-4-pyrimidin-2-yl-piperazin-1-ium-1-yl)cyclopentanecarboxamide CAS Name: N-butyl-N-[1-methyl-4-(2-pyrimidinyl)-1-piperazin-1-iumyl]cyclopentanecarboxamide IUPAC Name: N-butyl-N-(1-methyl-4-pyrimidin-2-ylpiperazin-1-ium-1-yl)cyclopentanecarboxamide Traditional Name: N-butyl-N-[1-methyl-4-(2-pyrimidyl)piperazin-1-ium-1-yl]cyclopentanecarboxamide Formula: C19H32N5O+ MolecularWeight: 346.49028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C(=O)C1CCCC1)[N+]2(CCN(CC2)C3=NC=CC=N3)C

Isomeric SMILES

CCCCN(C(=O)C1CCCC1)[N+]2(CCN(CC2)C3=NC=CC=N3)C

InChI

InChI=1S/C19H32N5O/c1-3-4-12-23(18(25)17-8-5-6-9-17)24(2)15-13-22(14-16-24)19-20-10-7-11-21-19/h7,10-11,17H,3-6,8-9,12-16H2,1-2H3/q+1