1-(2,5-dimethylphenyl)-4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium

Systemtic Name: 1-(2,5-dimethylphenyl)-4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium Openeye Name: 1-(2,5-dimethylphenyl)-4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium CAS Name: 1-(2,5-dimethylphenyl)-4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium IUPAC Name: 1-(2,5-dimethylphenyl)-4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium Traditional Name: 1-(2,5-dimethylphenyl)-4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium Formula: C19H31N2+ MolecularWeight: 287.46284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N2/c1-15-5-4-6-18(13-15)20-9-11-21(12-10-20)19-14-16(2)7-8-17(19)3/h7-8,14-15,18H,4-6,9-13H2,1-3H3/p+1/t15-,18+/m1/s1