2-(4-cyclohexylcarbonylpiperazin-1-yl)-7-methoxy-quinolin-1-ium-3-carbonitrile

Systemtic Name: 2-(4-cyclohexylcarbonylpiperazin-1-yl)-7-methoxy-quinolin-1-ium-3-carbonitrile Openeye Name: 2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-7-methoxy-quinolin-1-ium-3-carbonitrile CAS Name: 2-[4-[cyclohexyl(oxo)methyl]-1-piperazinyl]-7-methoxy-3-quinolin-1-iumcarbonitrile IUPAC Name: 2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-7-methoxyquinolin-1-ium-3-carbonitrile Traditional Name: 2-[4-(cyclohexanecarbonyl)piperazino]-7-methoxy-quinolin-1-ium-3-carbonitrile Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C(=[NH+]2)N3CCN(CC3)C(=O)C4CCCCC4)C#N

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C(=[NH+]2)N3CCN(CC3)C(=O)C4CCCCC4)C#N

InChI

InChI=1S/C22H26N4O2/c1-28-19-8-7-17-13-18(15-23)21(24-20(17)14-19)25-9-11-26(12-10-25)22(27)16-5-3-2-4-6-16/h7-8,13-14,16H,2-6,9-12H2,1H3/p+1