2-[4-(3-cyclohexylpropanoyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-(3-cyclohexylpropanoyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[4-(3-cyclohexylpropanoyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[4-(3-cyclohexyl-1-oxopropyl)-1-piperazin-1-iumyl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-(3-cyclohexylpropanoyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-(3-cyclohexylpropanoyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Formula: C23H36N3O2+ MolecularWeight: 386.55084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)CCC3CCCCC3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)CCC3CCCCC3

InChI

InChI=1S/C23H35N3O2/c1-18-7-6-8-19(2)23(18)24-21(27)17-25-13-15-26(16-14-25)22(28)12-11-20-9-4-3-5-10-20/h6-8,20H,3-5,9-17H2,1-2H3,(H,24,27)/p+1