(2S)-1,2-dimethyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-ium

Systemtic Name: (2S)-1,2-dimethyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-ium Openeye Name: (2S)-1,2-dimethyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-ium CAS Name: (2S)-1,2-dimethyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-ium IUPAC Name: (2S)-1,2-dimethyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-ium Traditional Name: (2S)-1,2-dimethyl-4-(2,3,4-trimethoxybenzyl)piperazin-1-ium Formula: C16H27N2O3+ MolecularWeight: 295.39718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC[NH+]1C)CC2=C(C(=C(C=C2)OC)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O3/c1-12-10-18(9-8-17(12)2)11-13-6-7-14(19-3)16(21-5)15(13)20-4/h6-7,12H,8-11H2,1-5H3/p+1/t12-/m0/s1