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

Systemtic Name: N-(cyclohexen-1-yl)-N-cyclopropyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(cyclohexen-1-yl)-N-cyclopropyl-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(1-cyclohexenyl)-N-cyclopropyl-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(cyclohexen-1-yl)-N-cyclopropyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(cyclohexen-1-yl)-N-cyclopropyl-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C22H32N3O3S+ MolecularWeight: 418.57278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N(C3CC3)C4=CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N(C3CC3)C4=CCCCC4

InChI

InChI=1S/C22H31N3O3S/c1-18-7-11-21(12-8-18)29(27,28)24-15-13-23(14-16-24)17-22(26)25(20-9-10-20)19-5-3-2-4-6-19/h5,7-8,11-12,20H,2-4,6,9-10,13-17H2,1H3/p+1