[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl-methyl-(1H-pyrazol-5-ylmethyl)azanium

Systemtic Name: [(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl-methyl-(1H-pyrazol-5-ylmethyl)azanium Openeye Name: [(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl-methyl-(1H-pyrazol-5-ylmethyl)ammonium CAS Name: [(3R)-1-[2-(2-methoxyphenyl)ethyl]-3-piperidin-1-iumyl]methyl-methyl-(1H-pyrazol-5-ylmethyl)ammonium IUPAC Name: [(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl-methyl-(1H-pyrazol-5-ylmethyl)azanium Traditional Name: [(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl-methyl-(1H-pyrazol-5-ylmethyl)ammonium Formula: C20H32N4O+2 MolecularWeight: 344.49428

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1CCC[NH+](C1)CCC2=CC=CC=C2OC)CC3=CC=NN3

Isomeric SMILES

C[NH+](C[C@H]1CCC[NH+](C1)CCC2=CC=CC=C2OC)CC3=CC=NN3

InChI

InChI=1S/C20H30N4O/c1-23(16-19-9-11-21-22-19)14-17-6-5-12-24(15-17)13-10-18-7-3-4-8-20(18)25-2/h3-4,7-9,11,17H,5-6,10,12-16H2,1-2H3,(H,21,22)/p+2/t17-/m1/s1