2-(4-cyclohexylcarbonylpiperazin-1-ium-1-yl)-N-(2,3-dimethylphenyl)ethanamide

Systemtic Name: 2-(4-cyclohexylcarbonylpiperazin-1-ium-1-yl)-N-(2,3-dimethylphenyl)ethanamide Openeye Name: 2-[4-(cyclohexanecarbonyl)piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide CAS Name: 2-[4-[cyclohexyl(oxo)methyl]-1-piperazin-1-iumyl]-N-(2,3-dimethylphenyl)acetamide IUPAC Name: 2-[4-(cyclohexanecarbonyl)piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide Traditional Name: 2-[4-(cyclohexanecarbonyl)piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide Formula: C21H32N3O2+ MolecularWeight: 358.49768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3CCCCC3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3CCCCC3)C

InChI

InChI=1S/C21H31N3O2/c1-16-7-6-10-19(17(16)2)22-20(25)15-23-11-13-24(14-12-23)21(26)18-8-4-3-5-9-18/h6-7,10,18H,3-5,8-9,11-15H2,1-2H3,(H,22,25)/p+1