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

Systemtic Name: N-[(1R,2R)-2-(4-hydroxyphenyl)-1-methyl-cyclohexyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1R,2R)-2-(4-hydroxyphenyl)-1-methyl-cyclohexyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(1R,2R)-2-(4-hydroxyphenyl)-1-methylcyclohexyl]-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(1R,2R)-2-(4-hydroxyphenyl)-1-methylcyclohexyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(1R,2R)-2-(4-hydroxyphenyl)-1-methyl-cyclohexyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C25H34N3O2+ MolecularWeight: 408.55636

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1C2=CC=C(C=C2)O)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C[C@]1(CCCC[C@@H]1C2=CC=C(C=C2)O)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H33N3O2/c1-25(14-6-5-9-23(25)20-10-12-22(29)13-11-20)26-24(30)19-27-15-17-28(18-16-27)21-7-3-2-4-8-21/h2-4,7-8,10-13,23,29H,5-6,9,14-19H2,1H3,(H,26,30)/p+1/t23-,25-/m1/s1