(1S)-1-(3,4-dimethoxyphenyl)-2-piperazin-4-ium-1-yl-ethanol

Systemtic Name: (1S)-1-(3,4-dimethoxyphenyl)-2-piperazin-4-ium-1-yl-ethanol Openeye Name: (1S)-1-(3,4-dimethoxyphenyl)-2-piperazin-4-ium-1-yl-ethanol CAS Name: (1S)-1-(3,4-dimethoxyphenyl)-2-(1-piperazin-4-iumyl)ethanol IUPAC Name: (1S)-1-(3,4-dimethoxyphenyl)-2-piperazin-4-ium-1-ylethanol Traditional Name: (1S)-1-(3,4-dimethoxyphenyl)-2-piperazin-4-ium-1-yl-ethanol Formula: C14H23N2O3+ MolecularWeight: 267.34402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CN2CC[NH2+]CC2)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H](CN2CC[NH2+]CC2)O)OC

InChI

InChI=1S/C14H22N2O3/c1-18-13-4-3-11(9-14(13)19-2)12(17)10-16-7-5-15-6-8-16/h3-4,9,12,15,17H,5-8,10H2,1-2H3/p+1/t12-/m1/s1