1-[(1S,3S)-3-methylcyclohexyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium

Systemtic Name: 1-[(1S,3S)-3-methylcyclohexyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium Openeye Name: 1-[(1S,3S)-3-methylcyclohexyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium CAS Name: 1-[(1S,3S)-3-methylcyclohexyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium IUPAC Name: 1-[(1S,3S)-3-methylcyclohexyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium Traditional Name: 1-[(1S,3S)-3-methylcyclohexyl]-4-(3,4,5-trimethoxybenzyl)piperazin-1-ium Formula: C21H35N2O3+ MolecularWeight: 363.5142

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)[NH+]2CCN(CC2)CC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

C[C@H]1CCC[C@@H](C1)[NH+]2CCN(CC2)CC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C21H34N2O3/c1-16-6-5-7-18(12-16)23-10-8-22(9-11-23)15-17-13-19(24-2)21(26-4)20(14-17)25-3/h13-14,16,18H,5-12,15H2,1-4H3/p+1/t16-,18-/m0/s1