1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium CAS Name: 1-[[(1S)-1-cyclohex-3-enyl]methyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-veratryl-piperazine-1,4-diium Formula: C20H32N2O2+2 MolecularWeight: 332.48028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CC[NH+](CC2)CC3CCC=CC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CC[NH+](CC2)C[C@H]3CCC=CC3)OC

InChI

InChI=1S/C20H30N2O2/c1-23-19-9-8-18(14-20(19)24-2)16-22-12-10-21(11-13-22)15-17-6-4-3-5-7-17/h3-4,8-9,14,17H,5-7,10-13,15-16H2,1-2H3/p+2/t17-/m1/s1