(3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(2-methylpropyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(2-methylpropyl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-isobutyl-N-methyl-piperidin-1-ium-3-amine CAS Name: (3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(2-methylpropyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(2-methylpropyl)piperidin-1-ium-3-amine Traditional Name: homoveratryl-[(3S)-1-isobutylpiperidin-1-ium-3-yl]-methyl-amine Formula: C20H35N2O2+ MolecularWeight: 335.5041

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H34N2O2/c1-16(2)14-22-11-6-7-18(15-22)21(3)12-10-17-8-9-19(23-4)20(13-17)24-5/h8-9,13,16,18H,6-7,10-12,14-15H2,1-5H3/p+1/t18-/m0/s1