2,2-dimethylpropyl-methyl-[[(3S)-1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-3-yl]methyl]azanium

Systemtic Name: 2,2-dimethylpropyl-methyl-[[(3S)-1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-3-yl]methyl]azanium Openeye Name: 2,2-dimethylpropyl-methyl-[[(3S)-1-[2-(o-tolyl)ethyl]piperidin-1-ium-3-yl]methyl]ammonium CAS Name: 2,2-dimethylpropyl-methyl-[[(3S)-1-[2-(2-methylphenyl)ethyl]-3-piperidin-1-iumyl]methyl]ammonium IUPAC Name: 2,2-dimethylpropyl-methyl-[[(3S)-1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-3-yl]methyl]azanium Traditional Name: methyl-neopentyl-[[(3S)-1-[2-(o-tolyl)ethyl]piperidin-1-ium-3-yl]methyl]ammonium Formula: C21H38N2+2 MolecularWeight: 318.53982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC[NH+]2CCCC(C2)C[NH+](C)CC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H36N2/c1-18-9-6-7-11-20(18)12-14-23-13-8-10-19(16-23)15-22(5)17-21(2,3)4/h6-7,9,11,19H,8,10,12-17H2,1-5H3/p+2/t19-/m0/s1