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

Systemtic Name: N-[2-[1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide Openeye Name: N-[2-[1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide CAS Name: N-[2-[1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-pyridinecarboxamide IUPAC Name: N-[2-[1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide Traditional Name: N-[2-[1-(4-methoxy-2,5-dimethyl-benzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]nicotinamide Formula: C24H30N5O2+ MolecularWeight: 420.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CN=CC=C4)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CN=CC=C4)C)OC

InChI

InChI=1S/C24H29N5O2/c1-17-14-22(31-3)18(2)13-20(17)16-28-11-7-21(8-12-28)29-23(6-10-26-29)27-24(30)19-5-4-9-25-15-19/h4-6,9-10,13-15,21H,7-8,11-12,16H2,1-3H3,(H,27,30)/p+1