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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N2O2/c1-16-6-4-8-18(14-16)22-12-10-21(11-13-22)15-17-7-5-9-19(23-2)20(17)24-3/h5,7,9,16,18H,4,6,8,10-15H2,1-3H3/p+1/t16-,18-/m0/s1