5-bromanyl-N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]methyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]nicotinamide Formula: C17H21BrN5O+ MolecularWeight: 391.28554

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)CNC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)CNC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C17H20BrN5O/c1-22-4-6-23(7-5-22)16-3-2-13(9-20-16)10-21-17(24)14-8-15(18)12-19-11-14/h2-3,8-9,11-12H,4-7,10H2,1H3,(H,21,24)/p+1