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

Systemtic Name: 1-[(1S,2R)-2-methylcyclohexyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-ium Openeye Name: 1-[(1S,2R)-2-methylcyclohexyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-ium CAS Name: 1-[(1S,2R)-2-methylcyclohexyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-ium IUPAC Name: 1-[(1S,2R)-2-methylcyclohexyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-ium Traditional Name: 1-[(1S,2R)-2-methylcyclohexyl]-4-(2,3,4-trimethoxybenzyl)piperazin-1-ium Formula: C21H35N2O3+ MolecularWeight: 363.5142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N2O3/c1-16-7-5-6-8-18(16)23-13-11-22(12-14-23)15-17-9-10-19(24-2)21(26-4)20(17)25-3/h9-10,16,18H,5-8,11-15H2,1-4H3/p+1/t16-,18+/m1/s1