[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl-methyl-(3-pyrazol-1-ylpropyl)azanium

Systemtic Name: [(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl-methyl-(3-pyrazol-1-ylpropyl)azanium Openeye Name: [(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl-methyl-(3-pyrazol-1-ylpropyl)ammonium CAS Name: [(3R)-1-[2-(4-methoxyphenyl)ethyl]-3-piperidin-1-iumyl]methyl-methyl-[3-(1-pyrazolyl)propyl]ammonium IUPAC Name: [(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl-methyl-(3-pyrazol-1-ylpropyl)azanium Traditional Name: [(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl-methyl-(3-pyrazol-1-ylpropyl)ammonium Formula: C22H36N4O+2 MolecularWeight: 372.54744

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCN1C=CC=N1)CC2CCC[NH+](C2)CCC3=CC=C(C=C3)OC

Isomeric SMILES

C[NH+](CCCN1C=CC=N1)C[C@H]2CCC[NH+](C2)CCC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H34N4O/c1-24(13-5-16-26-15-4-12-23-26)18-21-6-3-14-25(19-21)17-11-20-7-9-22(27-2)10-8-20/h4,7-10,12,15,21H,3,5-6,11,13-14,16-19H2,1-2H3/p+2/t21-/m1/s1