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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CN=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CN=CC=C4

InChI

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