N-methyl-N-[[(3S)-1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-3-pyrazol-1-yl-propanamide

Systemtic Name: N-methyl-N-[[(3S)-1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-3-pyrazol-1-yl-propanamide Openeye Name: N-methyl-N-[[(3S)-1-[2-(o-tolyl)ethyl]piperidin-1-ium-3-yl]methyl]-3-pyrazol-1-yl-propanamide CAS Name: N-methyl-N-[[(3S)-1-[2-(2-methylphenyl)ethyl]-3-piperidin-1-iumyl]methyl]-3-(1-pyrazolyl)propanamide IUPAC Name: N-methyl-N-[[(3S)-1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-3-pyrazol-1-ylpropanamide Traditional Name: N-methyl-N-[[(3S)-1-[2-(o-tolyl)ethyl]piperidin-1-ium-3-yl]methyl]-3-pyrazol-1-yl-propionamide Formula: C22H33N4O+ MolecularWeight: 369.52362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC[NH+]2CCCC(C2)CN(C)C(=O)CCN3C=CC=N3

Isomeric SMILES

CC1=CC=CC=C1CC[NH+]2CCC[C@H](C2)CN(C)C(=O)CCN3C=CC=N3

InChI

InChI=1S/C22H32N4O/c1-19-7-3-4-9-21(19)10-15-25-13-5-8-20(18-25)17-24(2)22(27)11-16-26-14-6-12-23-26/h3-4,6-7,9,12,14,20H,5,8,10-11,13,15-18H2,1-2H3/p+1/t20-/m0/s1