1-[(1R,2S)-2-methoxycyclohexyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-ium

Systemtic Name: 1-[(1R,2S)-2-methoxycyclohexyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-ium Openeye Name: 1-[(1R,2S)-2-methoxycyclohexyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-ium CAS Name: 1-[(1R,2S)-2-methoxycyclohexyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-ium IUPAC Name: 1-[(1R,2S)-2-methoxycyclohexyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-ium Traditional Name: 1-[(1R,2S)-2-methoxycyclohexyl]-4-(2,4,5-trimethoxybenzyl)piperazin-1-ium Formula: C21H35N2O4+ MolecularWeight: 379.5136

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCCCC1[NH+]2CCN(CC2)CC3=CC(=C(C=C3OC)OC)OC

Isomeric SMILES

CO[C@H]1CCCC[C@H]1[NH+]2CCN(CC2)CC3=CC(=C(C=C3OC)OC)OC

InChI

InChI=1S/C21H34N2O4/c1-24-18-8-6-5-7-17(18)23-11-9-22(10-12-23)15-16-13-20(26-3)21(27-4)14-19(16)25-2/h13-14,17-18H,5-12,15H2,1-4H3/p+1/t17-,18+/m1/s1