N-[(1R,2R)-2-(4-hydroxyphenyl)-1-methyl-cyclohexyl]-2-(4-methylpiperazine-1,4-diium-1-yl)ethanamide

Systemtic Name: N-[(1R,2R)-2-(4-hydroxyphenyl)-1-methyl-cyclohexyl]-2-(4-methylpiperazine-1,4-diium-1-yl)ethanamide Openeye Name: N-[(1R,2R)-2-(4-hydroxyphenyl)-1-methyl-cyclohexyl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide CAS Name: N-[(1R,2R)-2-(4-hydroxyphenyl)-1-methylcyclohexyl]-2-(4-methyl-1-piperazine-1,4-diiumyl)acetamide IUPAC Name: N-[(1R,2R)-2-(4-hydroxyphenyl)-1-methylcyclohexyl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide Traditional Name: N-[(1R,2R)-2-(4-hydroxyphenyl)-1-methyl-cyclohexyl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide Formula: C20H33N3O2+2 MolecularWeight: 347.49492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@]1(CCCC[C@@H]1C2=CC=C(C=C2)O)NC(=O)C[NH+]3CC[NH+](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+2/t18-,20-/m1/s1