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

Systemtic Name: 2-methyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-6-phenyl-pyridine-3-carboxamide Openeye Name: 2-methyl-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-6-phenyl-pyridine-3-carboxamide CAS Name: 2-methyl-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-6-phenyl-3-pyridinecarboxamide IUPAC Name: 2-methyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-6-phenylpyridine-3-carboxamide Traditional Name: 2-methyl-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-6-phenyl-nicotinamide Formula: C23H26N5O+ MolecularWeight: 388.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)C2=CC=CC=C2)C(=O)NC3=CN=C(C=C3)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(C=CC(=N1)C2=CC=CC=C2)C(=O)NC3=CN=C(C=C3)N4CC[NH+](CC4)C

InChI

InChI=1S/C23H25N5O/c1-17-20(9-10-21(25-17)18-6-4-3-5-7-18)23(29)26-19-8-11-22(24-16-19)28-14-12-27(2)13-15-28/h3-11,16H,12-15H2,1-2H3,(H,26,29)/p+1