2-[(2S)-1-[2-(3,4-dimethoxyphenyl)ethanoyl]piperidin-2-yl]ethylazanium

Systemtic Name: 2-[(2S)-1-[2-(3,4-dimethoxyphenyl)ethanoyl]piperidin-2-yl]ethylazanium Openeye Name: 2-[(2S)-1-[2-(3,4-dimethoxyphenyl)acetyl]-2-piperidyl]ethylammonium CAS Name: 2-[(2S)-1-[2-(3,4-dimethoxyphenyl)-1-oxoethyl]-2-piperidinyl]ethylammonium IUPAC Name: 2-[(2S)-1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-2-yl]ethylazanium Traditional Name: 2-[(2S)-1-homoveratroyl-2-piperidyl]ethylammonium Formula: C17H27N2O3+ MolecularWeight: 307.40788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)N2CCCCC2CC[NH3+])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N2CCCC[C@H]2CC[NH3+])OC

InChI

InChI=1S/C17H26N2O3/c1-21-15-7-6-13(11-16(15)22-2)12-17(20)19-10-4-3-5-14(19)8-9-18/h6-7,11,14H,3-5,8-10,12,18H2,1-2H3/p+1/t14-/m0/s1