3-[(3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]piperidin-1-ium-1-yl]-2,2-dimethyl-propan-1-ol

Systemtic Name: 3-[(3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]piperidin-1-ium-1-yl]-2,2-dimethyl-propan-1-ol Openeye Name: 3-[(3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]piperidin-1-ium-1-yl]-2,2-dimethyl-propan-1-ol CAS Name: 3-[(3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-piperidin-1-iumyl]-2,2-dimethyl-1-propanol IUPAC Name: 3-[(3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]piperidin-1-ium-1-yl]-2,2-dimethylpropan-1-ol Traditional Name: 3-[(3S)-3-[homoveratryl(methyl)amino]piperidin-1-ium-1-yl]-2,2-dimethyl-propan-1-ol Formula: C21H37N2O3+ MolecularWeight: 365.53008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C[NH+]1CCCC(C1)N(C)CCC2=CC(=C(C=C2)OC)OC)CO

Isomeric SMILES

CC(C)(C[NH+]1CCC[C@@H](C1)N(C)CCC2=CC(=C(C=C2)OC)OC)CO

InChI

InChI=1S/C21H36N2O3/c1-21(2,16-24)15-23-11-6-7-18(14-23)22(3)12-10-17-8-9-19(25-4)20(13-17)26-5/h8-9,13,18,24H,6-7,10-12,14-16H2,1-5H3/p+1/t18-/m0/s1