N-[2-[1-[[3-(2-methylphenyl)phenyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide

Systemtic Name: N-[2-[1-[[3-(2-methylphenyl)phenyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide Openeye Name: N-[2-[1-[[3-(o-tolyl)phenyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide CAS Name: N-[2-[1-[[3-(2-methylphenyl)phenyl]methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-pyridinecarboxamide IUPAC Name: N-[2-[1-[[3-(2-methylphenyl)phenyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide Traditional Name: N-[2-[1-[3-(o-tolyl)benzyl]piperidin-1-ium-4-yl]pyrazol-3-yl]nicotinamide Formula: C28H30N5O+ MolecularWeight: 452.5707

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC(=CC=C2)C[NH+]3CCC(CC3)N4C(=CC=N4)NC(=O)C5=CN=CC=C5

Isomeric SMILES

CC1=CC=CC=C1C2=CC(=CC=C2)C[NH+]3CCC(CC3)N4C(=CC=N4)NC(=O)C5=CN=CC=C5

InChI

InChI=1S/C28H29N5O/c1-21-6-2-3-10-26(21)23-8-4-7-22(18-23)20-32-16-12-25(13-17-32)33-27(11-15-30-33)31-28(34)24-9-5-14-29-19-24/h2-11,14-15,18-19,25H,12-13,16-17,20H2,1H3,(H,31,34)/p+1