1-[4-[(1R,3S)-3-methylcyclohexyl]piperazin-4-ium-1-yl]-2-(3-methylphenoxy)ethanone

Systemtic Name: 1-[4-[(1R,3S)-3-methylcyclohexyl]piperazin-4-ium-1-yl]-2-(3-methylphenoxy)ethanone Openeye Name: 1-[4-[(1R,3S)-3-methylcyclohexyl]piperazin-4-ium-1-yl]-2-(3-methylphenoxy)ethanone CAS Name: 1-[4-[(1R,3S)-3-methylcyclohexyl]-1-piperazin-4-iumyl]-2-(3-methylphenoxy)ethanone IUPAC Name: 1-[4-[(1R,3S)-3-methylcyclohexyl]piperazin-4-ium-1-yl]-2-(3-methylphenoxy)ethanone Traditional Name: 1-[4-[(1R,3S)-3-methylcyclohexyl]piperazin-4-ium-1-yl]-2-(3-methylphenoxy)ethanone Formula: C20H31N2O2+ MolecularWeight: 331.47234

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)[NH+]2CCN(CC2)C(=O)COC3=CC=CC(=C3)C

Isomeric SMILES

C[C@H]1CCC[C@H](C1)[NH+]2CCN(CC2)C(=O)COC3=CC=CC(=C3)C

InChI

InChI=1S/C20H30N2O2/c1-16-5-3-7-18(13-16)21-9-11-22(12-10-21)20(23)15-24-19-8-4-6-17(2)14-19/h4,6,8,14,16,18H,3,5,7,9-13,15H2,1-2H3/p+1/t16-,18+/m0/s1