2,2-dimethyl-3-[(3S)-3-[methyl-(phenylmethyl)amino]piperidin-1-ium-1-yl]propan-1-ol

Systemtic Name: 2,2-dimethyl-3-[(3S)-3-[methyl-(phenylmethyl)amino]piperidin-1-ium-1-yl]propan-1-ol Openeye Name: 3-[(3S)-3-[benzyl(methyl)amino]piperidin-1-ium-1-yl]-2,2-dimethyl-propan-1-ol CAS Name: 2,2-dimethyl-3-[(3S)-3-[methyl-(phenylmethyl)amino]-1-piperidin-1-iumyl]-1-propanol IUPAC Name: 3-[(3S)-3-[benzyl(methyl)amino]piperidin-1-ium-1-yl]-2,2-dimethylpropan-1-ol Traditional Name: 3-[(3S)-3-[benzyl(methyl)amino]piperidin-1-ium-1-yl]-2,2-dimethyl-propan-1-ol Formula: C18H31N2O+ MolecularWeight: 291.45154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C[NH+]1CCCC(C1)N(C)CC2=CC=CC=C2)CO

Isomeric SMILES

CC(C)(C[NH+]1CCC[C@@H](C1)N(C)CC2=CC=CC=C2)CO

InChI

InChI=1S/C18H30N2O/c1-18(2,15-21)14-20-11-7-10-17(13-20)19(3)12-16-8-5-4-6-9-16/h4-6,8-9,17,21H,7,10-15H2,1-3H3/p+1/t17-/m0/s1