1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium

Systemtic Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium Openeye Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium CAS Name: 1-[[(1S)-1-cyclohex-3-enyl]methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium IUPAC Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium Traditional Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-(3,4,5-trimethoxybenzyl)piperazin-1-ium Formula: C21H33N2O3+ MolecularWeight: 361.49832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CN2CC[NH+](CC2)CC3CCC=CC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CN2CC[NH+](CC2)C[C@H]3CCC=CC3

InChI

InChI=1S/C21H32N2O3/c1-24-19-13-18(14-20(25-2)21(19)26-3)16-23-11-9-22(10-12-23)15-17-7-5-4-6-8-17/h4-5,13-14,17H,6-12,15-16H2,1-3H3/p+1/t17-/m1/s1