N-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]-N,1-dimethyl-piperidin-1-ium-4-amine

Systemtic Name: N-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]-N,1-dimethyl-piperidin-1-ium-4-amine Openeye Name: N-[(1S)-2-(3,4-dimethoxyphenyl)-1-methyl-ethyl]-N,1-dimethyl-piperidin-1-ium-4-amine CAS Name: N-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]-N,1-dimethyl-4-piperidin-1-iumamine IUPAC Name: N-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]-N,1-dimethylpiperidin-1-ium-4-amine Traditional Name: [(1S)-2-(3,4-dimethoxyphenyl)-1-methyl-ethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)amine Formula: C18H31N2O2+ MolecularWeight: 307.45094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)OC)OC)N(C)C2CC[NH+](CC2)C

Isomeric SMILES

C[C@@H](CC1=CC(=C(C=C1)OC)OC)N(C)C2CC[NH+](CC2)C

InChI

InChI=1S/C18H30N2O2/c1-14(20(3)16-8-10-19(2)11-9-16)12-15-6-7-17(21-4)18(13-15)22-5/h6-7,13-14,16H,8-12H2,1-5H3/p+1/t14-/m0/s1