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

Systemtic Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-[(1R,2S)-2-methoxycyclohexyl]piperazin-4-ium Openeye Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-[(1R,2S)-2-methoxycyclohexyl]piperazin-4-ium CAS Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-[(1R,2S)-2-methoxycyclohexyl]piperazin-4-ium IUPAC Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-[(1R,2S)-2-methoxycyclohexyl]piperazin-4-ium Traditional Name: 1-[(1R,2S)-2-methoxycyclohexyl]-4-o-veratryl-piperazin-1-ium Formula: C20H33N2O3+ MolecularWeight: 349.48762

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCCCC1[NH+]2CCN(CC2)CC3=C(C(=CC=C3)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H32N2O3/c1-23-18-9-5-4-8-17(18)22-13-11-21(12-14-22)15-16-7-6-10-19(24-2)20(16)25-3/h6-7,10,17-18H,4-5,8-9,11-15H2,1-3H3/p+1/t17-,18+/m1/s1