N-(cyclohexylmethyl)-6-(2,5-dimethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)pyridine-3-carboxamide

Systemtic Name: N-(cyclohexylmethyl)-6-(2,5-dimethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)pyridine-3-carboxamide Openeye Name: N-(cyclohexylmethyl)-6-(2,5-dimethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)pyridine-3-carboxamide CAS Name: N-(cyclohexylmethyl)-6-(2,5-dimethoxyphenyl)-2-(4-methyl-1-piperazin-4-iumyl)-3-pyridinecarboxamide IUPAC Name: N-(cyclohexylmethyl)-6-(2,5-dimethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)pyridine-3-carboxamide Traditional Name: N-(cyclohexylmethyl)-6-(2,5-dimethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)nicotinamide Formula: C26H37N4O3+ MolecularWeight: 453.59698

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=CC(=N2)C3=C(C=CC(=C3)OC)OC)C(=O)NCC4CCCCC4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=CC(=N2)C3=C(C=CC(=C3)OC)OC)C(=O)NCC4CCCCC4

InChI

InChI=1S/C26H36N4O3/c1-29-13-15-30(16-14-29)25-21(26(31)27-18-19-7-5-4-6-8-19)10-11-23(28-25)22-17-20(32-2)9-12-24(22)33-3/h9-12,17,19H,4-8,13-16,18H2,1-3H3,(H,27,31)/p+1