2-(4-ethylpiperazin-4-ium-1-yl)-6-(4-fluorophenyl)-N-(3-morpholin-4-ium-4-ylpropyl)pyridine-3-carboxamide

Systemtic Name: 2-(4-ethylpiperazin-4-ium-1-yl)-6-(4-fluorophenyl)-N-(3-morpholin-4-ium-4-ylpropyl)pyridine-3-carboxamide Openeye Name: 2-(4-ethylpiperazin-4-ium-1-yl)-6-(4-fluorophenyl)-N-(3-morpholin-4-ium-4-ylpropyl)pyridine-3-carboxamide CAS Name: 2-(4-ethyl-1-piperazin-4-iumyl)-6-(4-fluorophenyl)-N-[3-(4-morpholin-4-iumyl)propyl]-3-pyridinecarboxamide IUPAC Name: 2-(4-ethylpiperazin-4-ium-1-yl)-6-(4-fluorophenyl)-N-(3-morpholin-4-ium-4-ylpropyl)pyridine-3-carboxamide Traditional Name: 2-(4-ethylpiperazin-4-ium-1-yl)-6-(4-fluorophenyl)-N-(3-morpholin-4-ium-4-ylpropyl)nicotinamide Formula: C25H36FN5O2+2 MolecularWeight: 457.584043

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=CC(=N2)C3=CC=C(C=C3)F)C(=O)NCCC[NH+]4CCOCC4

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=CC(=N2)C3=CC=C(C=C3)F)C(=O)NCCC[NH+]4CCOCC4

InChI

InChI=1S/C25H34FN5O2/c1-2-29-12-14-31(15-13-29)24-22(8-9-23(28-24)20-4-6-21(26)7-5-20)25(32)27-10-3-11-30-16-18-33-19-17-30/h4-9H,2-3,10-19H2,1H3,(H,27,32)/p+2