N-[3-(4-methylpiperazin-1-yl)propyl]-N-[(2-phenyl-1H-imidazol-5-yl)methyl]-6-(1H-pyrazol-2-ium-2-yl)pyridine-3-carboxamide

Systemtic Name: N-[3-(4-methylpiperazin-1-yl)propyl]-N-[(2-phenyl-1H-imidazol-5-yl)methyl]-6-(1H-pyrazol-2-ium-2-yl)pyridine-3-carboxamide Openeye Name: N-[3-(4-methylpiperazin-1-yl)propyl]-N-[(2-phenyl-1H-imidazol-5-yl)methyl]-6-(1H-pyrazol-2-ium-2-yl)pyridine-3-carboxamide CAS Name: N-[3-(4-methyl-1-piperazinyl)propyl]-N-[(2-phenyl-1H-imidazol-5-yl)methyl]-6-(1H-pyrazol-2-ium-2-yl)-3-pyridinecarboxamide IUPAC Name: N-[3-(4-methylpiperazin-1-yl)propyl]-N-[(2-phenyl-1H-imidazol-5-yl)methyl]-6-(1H-pyrazol-2-ium-2-yl)pyridine-3-carboxamide Traditional Name: N-[3-(4-methylpiperazino)propyl]-N-[(2-phenyl-1H-imidazol-5-yl)methyl]-6-(1H-pyrazol-2-ium-2-yl)nicotinamide Formula: C27H33N8O+ MolecularWeight: 485.60392

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCN(CC2=CN=C(N2)C3=CC=CC=C3)C(=O)C4=CN=C(C=C4)[N+]5=CC=CN5

Isomeric SMILES

CN1CCN(CC1)CCCN(CC2=CN=C(N2)C3=CC=CC=C3)C(=O)C4=CN=C(C=C4)[N+]5=CC=CN5

InChI

InChI=1S/C27H32N8O/c1-32-15-17-33(18-16-32)12-6-13-34(21-24-20-29-26(31-24)22-7-3-2-4-8-22)27(36)23-9-10-25(28-19-23)35-14-5-11-30-35/h2-5,7-11,14,19-20H,6,12-13,15-18,21H2,1H3,(H,29,31)/p+1