5-bromanyl-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]nicotinamide Formula: C18H22BrN4O+ MolecularWeight: 390.29748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C18H21BrN4O/c1-13-9-16(23-7-5-22(2)6-8-23)3-4-17(13)21-18(24)14-10-15(19)12-20-11-14/h3-4,9-12H,5-8H2,1-2H3,(H,21,24)/p+1