1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-ium

Systemtic Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-ium Openeye Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-ium CAS Name: 1-[[(1S)-1-cyclohex-3-enyl]methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-ium IUPAC Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-ium Traditional Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-(2,4,5-trimethoxybenzyl)piperazin-1-ium Formula: C21H33N2O3+ MolecularWeight: 361.49832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CN2CC[NH+](CC2)CC3CCC=CC3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CN2CC[NH+](CC2)C[C@H]3CCC=CC3)OC)OC

InChI

InChI=1S/C21H32N2O3/c1-24-19-14-21(26-3)20(25-2)13-18(19)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