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

Systemtic Name: N-[2-[1-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-N-pyridin-2-yl-cyclohexanecarboxamide Openeye Name: N-[2-[1-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-N-(2-pyridyl)cyclohexanecarboxamide CAS Name: N-[2-[1-(2-methoxyphenyl)-1-piperazin-1-iumyl]ethyl]-N-(2-pyridinyl)cyclohexanecarboxamide IUPAC Name: N-[2-[1-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide Traditional Name: N-[2-[1-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-N-(2-pyridyl)cyclohexanecarboxamide Formula: C25H35N4O2+ MolecularWeight: 423.571

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1[N+]2(CCNCC2)CCN(C3=CC=CC=N3)C(=O)C4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1[N+]2(CCNCC2)CCN(C3=CC=CC=N3)C(=O)C4CCCCC4

InChI

InChI=1S/C25H35N4O2/c1-31-23-12-6-5-11-22(23)29(18-15-26-16-19-29)20-17-28(24-13-7-8-14-27-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21,26H,2-4,9-10,15-20H2,1H3/q+1