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

Systemtic Name: (2S)-1-(3,4-dimethoxyphenyl)-2-piperazin-4-ium-1-yl-propan-1-one Openeye Name: (2S)-1-(3,4-dimethoxyphenyl)-2-piperazin-4-ium-1-yl-propan-1-one CAS Name: (2S)-1-(3,4-dimethoxyphenyl)-2-(1-piperazin-4-iumyl)-1-propanone IUPAC Name: (2S)-1-(3,4-dimethoxyphenyl)-2-piperazin-4-ium-1-ylpropan-1-one Traditional Name: (2S)-1-(3,4-dimethoxyphenyl)-2-piperazin-4-ium-1-yl-propan-1-one Formula: C15H23N2O3+ MolecularWeight: 279.35472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC(=C(C=C1)OC)OC)N2CC[NH2+]CC2

Isomeric SMILES

C[C@@H](C(=O)C1=CC(=C(C=C1)OC)OC)N2CC[NH2+]CC2

InChI

InChI=1S/C15H22N2O3/c1-11(17-8-6-16-7-9-17)15(18)12-4-5-13(19-2)14(10-12)20-3/h4-5,10-11,16H,6-9H2,1-3H3/p+1/t11-/m0/s1