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

Systemtic Name: N-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-3-pyrazol-1-yl-propanamide Openeye Name: N-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-3-pyrazol-1-yl-propanamide CAS Name: N-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]-3-piperidin-1-iumyl]methyl]-N-methyl-3-(1-pyrazolyl)propanamide IUPAC Name: N-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-3-pyrazol-1-ylpropanamide Traditional Name: N-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-3-pyrazol-1-yl-propionamide Formula: C22H33N4O2+ MolecularWeight: 385.52302

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCC[NH+](C1)CCC2=CC=CC=C2OC)C(=O)CCN3C=CC=N3

Isomeric SMILES

CN(C[C@H]1CCC[NH+](C1)CCC2=CC=CC=C2OC)C(=O)CCN3C=CC=N3

InChI

InChI=1S/C22H32N4O2/c1-24(22(27)11-16-26-14-6-12-23-26)17-19-7-5-13-25(18-19)15-10-20-8-3-4-9-21(20)28-2/h3-4,6,8-9,12,14,19H,5,7,10-11,13,15-18H2,1-2H3/p+1/t19-/m1/s1