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

Systemtic Name: N-[2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide Openeye Name: N-[2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide CAS Name: N-[2-[1-[(3,4-dimethoxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-pyridinecarboxamide IUPAC Name: N-[2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide Traditional Name: N-[2-(1-veratrylpiperidin-1-ium-4-yl)pyrazol-3-yl]nicotinamide Formula: C23H28N5O3+ MolecularWeight: 422.50012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CN=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CN=CC=C4)OC

InChI

InChI=1S/C23H27N5O3/c1-30-20-6-5-17(14-21(20)31-2)16-27-12-8-19(9-13-27)28-22(7-11-25-28)26-23(29)18-4-3-10-24-15-18/h3-7,10-11,14-15,19H,8-9,12-13,16H2,1-2H3,(H,26,29)/p+1