N-[(1R,2S)-2-(4-hydroxyphenyl)-1-methyl-cyclohexyl]-2-(4-methylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(1R,2S)-2-(4-hydroxyphenyl)-1-methyl-cyclohexyl]-2-(4-methylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1R,2S)-2-(4-hydroxyphenyl)-1-methyl-cyclohexyl]-2-(4-methylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(1R,2S)-2-(4-hydroxyphenyl)-1-methylcyclohexyl]-2-(4-methyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(1R,2S)-2-(4-hydroxyphenyl)-1-methylcyclohexyl]-2-(4-methylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(1R,2S)-2-(4-hydroxyphenyl)-1-methyl-cyclohexyl]-2-(4-methylpiperazin-1-ium-1-yl)acetamide Formula: C20H32N3O2+ MolecularWeight: 346.48698

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1C2=CC=C(C=C2)O)NC(=O)C[NH+]3CCN(CC3)C

Isomeric SMILES

C[C@]1(CCCC[C@H]1C2=CC=C(C=C2)O)NC(=O)C[NH+]3CCN(CC3)C

InChI

InChI=1S/C20H31N3O2/c1-20(21-19(25)15-23-13-11-22(2)12-14-23)10-4-3-5-18(20)16-6-8-17(24)9-7-16/h6-9,18,24H,3-5,10-15H2,1-2H3,(H,21,25)/p+1/t18-,20+/m0/s1