1-[(3,4-dimethoxyphenyl)methyl]-4-[(1R,2S)-2-methylcyclohexyl]piperazin-4-ium

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-[(1R,2S)-2-methylcyclohexyl]piperazin-4-ium Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-[(1R,2S)-2-methylcyclohexyl]piperazin-4-ium CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-[(1R,2S)-2-methylcyclohexyl]piperazin-4-ium IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-[(1R,2S)-2-methylcyclohexyl]piperazin-4-ium Traditional Name: 1-[(1R,2S)-2-methylcyclohexyl]-4-veratryl-piperazin-1-ium Formula: C20H33N2O2+ MolecularWeight: 333.48822

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1[NH+]2CCN(CC2)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[C@H]1CCCC[C@H]1[NH+]2CCN(CC2)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H32N2O2/c1-16-6-4-5-7-18(16)22-12-10-21(11-13-22)15-17-8-9-19(23-2)20(14-17)24-3/h8-9,14,16,18H,4-7,10-13,15H2,1-3H3/p+1/t16-,18+/m0/s1