N-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]cyclohexanecarboxamide

Systemtic Name: N-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]cyclohexanecarboxamide Openeye Name: N-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]cyclohexanecarboxamide CAS Name: N-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]cyclohexanecarboxamide IUPAC Name: N-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]cyclohexanecarboxamide Traditional Name: N-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]cyclohexanecarboxamide Formula: C18H27N4O2+ MolecularWeight: 331.43258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CCC(CC1)C(=O)NCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C18H26N4O2/c23-17(14-20-18(24)15-6-2-1-3-7-15)22-12-10-21(11-13-22)16-8-4-5-9-19-16/h4-5,8-9,15H,1-3,6-7,10-14H2,(H,20,24)/p+1