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

Systemtic Name: N-[2-[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-ethanamide Openeye Name: N-[2-[1-(m-tolylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-acetamide CAS Name: N-[2-[1-[(3-methylphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-2-phenylacetamide IUPAC Name: N-[2-[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenylacetamide Traditional Name: N-[2-[1-(3-methylbenzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-acetamide Formula: C24H29N4O+ MolecularWeight: 389.51326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H28N4O/c1-19-6-5-9-21(16-19)18-27-14-11-22(12-15-27)28-23(10-13-25-28)26-24(29)17-20-7-3-2-4-8-20/h2-10,13,16,22H,11-12,14-15,17-18H2,1H3,(H,26,29)/p+1