N-[2-(cyclohexen-1-yl)ethyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C18H28N3O3S2+ MolecularWeight: 398.56322

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H27N3O3S2/c22-17(19-9-8-16-5-2-1-3-6-16)15-20-10-12-21(13-11-20)26(23,24)18-7-4-14-25-18/h4-5,7,14H,1-3,6,8-13,15H2,(H,19,22)/p+1