N-[2-[1-(2-methylphenyl)piperazin-1-ium-1-yl]ethyl]-N-pyridin-2-yl-cyclohexanecarboxamide

Systemtic Name: N-[2-[1-(2-methylphenyl)piperazin-1-ium-1-yl]ethyl]-N-pyridin-2-yl-cyclohexanecarboxamide Openeye Name: N-[2-[1-(o-tolyl)piperazin-1-ium-1-yl]ethyl]-N-(2-pyridyl)cyclohexanecarboxamide CAS Name: N-[2-[1-(2-methylphenyl)-1-piperazin-1-iumyl]ethyl]-N-(2-pyridinyl)cyclohexanecarboxamide IUPAC Name: N-[2-[1-(2-methylphenyl)piperazin-1-ium-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide Traditional Name: N-[2-[1-(o-tolyl)piperazin-1-ium-1-yl]ethyl]-N-(2-pyridyl)cyclohexanecarboxamide Formula: C25H35N4O+ MolecularWeight: 407.5716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1[N+]2(CCNCC2)CCN(C3=CC=CC=N3)C(=O)C4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1[N+]2(CCNCC2)CCN(C3=CC=CC=N3)C(=O)C4CCCCC4

InChI

InChI=1S/C25H35N4O/c1-21-9-5-6-12-23(21)29(18-15-26-16-19-29)20-17-28(24-13-7-8-14-27-24)25(30)22-10-3-2-4-11-22/h5-9,12-14,22,26H,2-4,10-11,15-20H2,1H3/q+1