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

Systemtic Name: N-[2-(1-isoquinolin-1-ylpiperazin-1-ium-1-yl)ethyl]-N-pyridin-2-yl-cyclohexanecarboxamide Openeye Name: N-[2-[1-(1-isoquinolyl)piperazin-1-ium-1-yl]ethyl]-N-(2-pyridyl)cyclohexanecarboxamide CAS Name: N-[2-[1-(1-isoquinolinyl)-1-piperazin-1-iumyl]ethyl]-N-(2-pyridinyl)cyclohexanecarboxamide IUPAC Name: N-[2-(1-isoquinolin-1-ylpiperazin-1-ium-1-yl)ethyl]-N-pyridin-2-ylcyclohexanecarboxamide Traditional Name: N-[2-[1-(1-isoquinolyl)piperazin-1-ium-1-yl]ethyl]-N-(2-pyridyl)cyclohexanecarboxamide Formula: C27H34N5O+ MolecularWeight: 444.59176

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N(CC[N+]2(CCNCC2)C3=NC=CC4=CC=CC=C43)C5=CC=CC=N5

Isomeric SMILES

C1CCC(CC1)C(=O)N(CC[N+]2(CCNCC2)C3=NC=CC4=CC=CC=C43)C5=CC=CC=N5

InChI

InChI=1S/C27H34N5O/c33-27(23-9-2-1-3-10-23)31(25-12-6-7-14-29-25)18-21-32(19-16-28-17-20-32)26-24-11-5-4-8-22(24)13-15-30-26/h4-8,11-15,23,28H,1-3,9-10,16-21H2/q+1