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

Systemtic Name: (2S)-1-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-piperidin-1-ium Openeye Name: (2S)-1-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-piperidin-1-ium CAS Name: (2S)-1-[(3,4-dimethoxyphenyl)methyl]-2-ethylpiperidin-1-ium IUPAC Name: (2S)-1-[(3,4-dimethoxyphenyl)methyl]-2-ethylpiperidin-1-ium Traditional Name: (2S)-2-ethyl-1-veratryl-piperidin-1-ium Formula: C16H26NO2+ MolecularWeight: 264.38314

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C16H25NO2/c1-4-14-7-5-6-10-17(14)12-13-8-9-15(18-2)16(11-13)19-3/h8-9,11,14H,4-7,10,12H2,1-3H3/p+1/t14-/m0/s1