(3,4-dimethoxyphenyl)-[4-[(1R,3S)-3-methylcyclohexyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (3,4-dimethoxyphenyl)-[4-[(1R,3S)-3-methylcyclohexyl]piperazin-4-ium-1-yl]methanone Openeye Name: (3,4-dimethoxyphenyl)-[4-[(1R,3S)-3-methylcyclohexyl]piperazin-4-ium-1-yl]methanone CAS Name: (3,4-dimethoxyphenyl)-[4-[(1R,3S)-3-methylcyclohexyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3,4-dimethoxyphenyl)-[4-[(1R,3S)-3-methylcyclohexyl]piperazin-4-ium-1-yl]methanone Traditional Name: (3,4-dimethoxyphenyl)-[4-[(1R,3S)-3-methylcyclohexyl]piperazin-4-ium-1-yl]methanone Formula: C20H31N2O3+ MolecularWeight: 347.47174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O3/c1-15-5-4-6-17(13-15)21-9-11-22(12-10-21)20(23)16-7-8-18(24-2)19(14-16)25-3/h7-8,14-15,17H,4-6,9-13H2,1-3H3/p+1/t15-,17+/m0/s1