N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C22H34N3O3S+ MolecularWeight: 420.58866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCCC3=CCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCCC3=CCCCC3

InChI

InChI=1S/C22H33N3O3S/c1-18-8-9-19(2)21(16-18)29(27,28)25-14-12-24(13-15-25)17-22(26)23-11-10-20-6-4-3-5-7-20/h6,8-9,16H,3-5,7,10-15,17H2,1-2H3,(H,23,26)/p+1