5-cyclopropyl-N-methyl-N-[[(3R)-1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-1H-pyrazole-3-carboxamide

Systemtic Name: 5-cyclopropyl-N-methyl-N-[[(3R)-1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-1H-pyrazole-3-carboxamide Openeye Name: 5-cyclopropyl-N-methyl-N-[[(3R)-1-[2-(o-tolyl)ethyl]piperidin-1-ium-3-yl]methyl]-1H-pyrazole-3-carboxamide CAS Name: 5-cyclopropyl-N-methyl-N-[[(3R)-1-[2-(2-methylphenyl)ethyl]-3-piperidin-1-iumyl]methyl]-1H-pyrazole-3-carboxamide IUPAC Name: 5-cyclopropyl-N-methyl-N-[[(3R)-1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-1H-pyrazole-3-carboxamide Traditional Name: 5-cyclopropyl-N-methyl-N-[[(3R)-1-[2-(o-tolyl)ethyl]piperidin-1-ium-3-yl]methyl]-1H-pyrazole-3-carboxamide Formula: C23H33N4O+ MolecularWeight: 381.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC[NH+]2CCCC(C2)CN(C)C(=O)C3=NNC(=C3)C4CC4

Isomeric SMILES

CC1=CC=CC=C1CC[NH+]2CCC[C@@H](C2)CN(C)C(=O)C3=NNC(=C3)C4CC4

InChI

InChI=1S/C23H32N4O/c1-17-6-3-4-8-19(17)11-13-27-12-5-7-18(16-27)15-26(2)23(28)22-14-21(24-25-22)20-9-10-20/h3-4,6,8,14,18,20H,5,7,9-13,15-16H2,1-2H3,(H,24,25)/p+1/t18-/m1/s1