N-[2-[1-[(3,5-dimethylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide

Systemtic Name: N-[2-[1-[(3,5-dimethylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide Openeye Name: N-[2-[1-[(3,5-dimethylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide CAS Name: N-[2-[1-[(3,5-dimethylphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-pyridinecarboxamide IUPAC Name: N-[2-[1-[(3,5-dimethylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide Traditional Name: N-[2-[1-(3,5-dimethylbenzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]nicotinamide Formula: C23H28N5O+ MolecularWeight: 390.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CN=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CN=CC=C4)C

InChI

InChI=1S/C23H27N5O/c1-17-12-18(2)14-19(13-17)16-27-10-6-21(7-11-27)28-22(5-9-25-28)26-23(29)20-4-3-8-24-15-20/h3-5,8-9,12-15,21H,6-7,10-11,16H2,1-2H3,(H,26,29)/p+1