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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)N(C2CC2)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(=CC1)N(C2CC2)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H31N3O3S/c26-22(25(21-11-12-21)20-9-5-2-6-10-20)17-23-13-15-24(16-14-23)29(27,28)18-19-7-3-1-4-8-19/h1,3-4,7-9,21H,2,5-6,10-18H2/p+1