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

Systemtic Name: ethyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-(3-pyrazol-1-ylpropyl)azanium Openeye Name: ethyl-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]-(3-pyrazol-1-ylpropyl)ammonium CAS Name: ethyl-[[1-[2-(2-methylphenyl)ethyl]-4-piperidin-1-iumyl]methyl]-[3-(1-pyrazolyl)propyl]ammonium IUPAC Name: ethyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-(3-pyrazol-1-ylpropyl)azanium Traditional Name: ethyl-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]-(3-pyrazol-1-ylpropyl)ammonium Formula: C23H38N4+2 MolecularWeight: 370.57462

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCCN1C=CC=N1)CC2CC[NH+](CC2)CCC3=CC=CC=C3C

Isomeric SMILES

CC[NH+](CCCN1C=CC=N1)CC2CC[NH+](CC2)CCC3=CC=CC=C3C

InChI

InChI=1S/C23H36N4/c1-3-25(14-7-16-27-15-6-13-24-27)20-22-10-17-26(18-11-22)19-12-23-9-5-4-8-21(23)2/h4-6,8-9,13,15,22H,3,7,10-12,14,16-20H2,1-2H3/p+2