6-(2,5-dimethoxyphenyl)-N-[(3-fluorophenyl)methyl]-2-(4-methylpiperazin-4-ium-1-yl)pyridine-3-carboxamide

Systemtic Name: 6-(2,5-dimethoxyphenyl)-N-[(3-fluorophenyl)methyl]-2-(4-methylpiperazin-4-ium-1-yl)pyridine-3-carboxamide Openeye Name: 6-(2,5-dimethoxyphenyl)-N-[(3-fluorophenyl)methyl]-2-(4-methylpiperazin-4-ium-1-yl)pyridine-3-carboxamide CAS Name: 6-(2,5-dimethoxyphenyl)-N-[(3-fluorophenyl)methyl]-2-(4-methyl-1-piperazin-4-iumyl)-3-pyridinecarboxamide IUPAC Name: 6-(2,5-dimethoxyphenyl)-N-[(3-fluorophenyl)methyl]-2-(4-methylpiperazin-4-ium-1-yl)pyridine-3-carboxamide Traditional Name: 6-(2,5-dimethoxyphenyl)-N-(3-fluorobenzyl)-2-(4-methylpiperazin-4-ium-1-yl)nicotinamide Formula: C26H30FN4O3+ MolecularWeight: 465.539803

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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)NCC4=CC(=CC=C4)F

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=CC(=N2)C3=C(C=CC(=C3)OC)OC)C(=O)NCC4=CC(=CC=C4)F

InChI

InChI=1S/C26H29FN4O3/c1-30-11-13-31(14-12-30)25-21(26(32)28-17-18-5-4-6-19(27)15-18)8-9-23(29-25)22-16-20(33-2)7-10-24(22)34-3/h4-10,15-16H,11-14,17H2,1-3H3,(H,28,32)/p+1