cyclooctyl-[2-oxidanylidene-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]azanium

Systemtic Name: cyclooctyl-[2-oxidanylidene-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]azanium Openeye Name: cyclooctyl-[2-oxo-2-[4-[(E)-styryl]sulfonylpiperazin-1-yl]ethyl]ammonium CAS Name: cyclooctyl-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]ethyl]ammonium IUPAC Name: cyclooctyl-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]azanium Traditional Name: cyclooctyl-[2-keto-2-[4-[(E)-styryl]sulfonylpiperazino]ethyl]ammonium Formula: C22H34N3O3S+ MolecularWeight: 420.58866

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)[NH2+]CC(=O)N2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CCCC(CCC1)[NH2+]CC(=O)N2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H33N3O3S/c26-22(19-23-21-11-7-2-1-3-8-12-21)24-14-16-25(17-15-24)29(27,28)18-13-20-9-5-4-6-10-20/h4-6,9-10,13,18,21,23H,1-3,7-8,11-12,14-17,19H2/p+1/b18-13+