N-(cyclohexen-1-yl)-N-ethyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(cyclohexen-1-yl)-N-ethyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(cyclohexen-1-yl)-N-ethyl-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(1-cyclohexenyl)-N-ethyl-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(cyclohexen-1-yl)-N-ethyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(cyclohexen-1-yl)-N-ethyl-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C21H32N3O3S+ MolecularWeight: 406.56208

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CCCCC1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCN(C1=CCCCC1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H31N3O3S/c1-3-24(19-7-5-4-6-8-19)21(25)17-22-13-15-23(16-14-22)28(26,27)20-11-9-18(2)10-12-20/h7,9-12H,3-6,8,13-17H2,1-2H3/p+1