(2,6-dimethoxyphenyl)-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (2,6-dimethoxyphenyl)-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]methanone Openeye Name: (2,6-dimethoxyphenyl)-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]methanone CAS Name: (2,6-dimethoxyphenyl)-[4-[(1S,3R)-3-methylcyclohexyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (2,6-dimethoxyphenyl)-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]methanone Traditional Name: (2,6-dimethoxyphenyl)-[4-[(1S,3R)-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=C(C=CC=C3OC)OC

Isomeric SMILES

C[C@@H]1CCC[C@@H](C1)[NH+]2CCN(CC2)C(=O)C3=C(C=CC=C3OC)OC

InChI

InChI=1S/C20H30N2O3/c1-15-6-4-7-16(14-15)21-10-12-22(13-11-21)20(23)19-17(24-2)8-5-9-18(19)25-3/h5,8-9,15-16H,4,6-7,10-14H2,1-3H3/p+1/t15-,16+/m1/s1