(Z)-4-oxidanyl-2-oxidanylidene-6-(4-piperidin-1-ylsulfonylphenyl)hex-3-ene-3-diazonium

Systemtic Name: (Z)-4-oxidanyl-2-oxidanylidene-6-(4-piperidin-1-ylsulfonylphenyl)hex-3-ene-3-diazonium Openeye Name: (Z)-4-hydroxy-2-oxo-6-[4-(1-piperidylsulfonyl)phenyl]hex-3-ene-3-diazonium CAS Name: (Z)-4-hydroxy-2-oxo-6-[4-(1-piperidinylsulfonyl)phenyl]-3-hexene-3-diazonium IUPAC Name: (Z)-4-hydroxy-2-oxo-6-(4-piperidin-1-ylsulfonylphenyl)hex-3-ene-3-diazonium Traditional Name: (Z)-4-hydroxy-2-keto-6-(4-piperidinosulfonylphenyl)hex-3-ene-3-diazonium Formula: C17H22N3O4S+ MolecularWeight: 364.43928

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)O)[N+]#N

Isomeric SMILES

CC(=O)/C(=C(\CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)/O)/[N+]#N

InChI

InChI=1S/C17H21N3O4S/c1-13(21)17(19-18)16(22)10-7-14-5-8-15(9-6-14)25(23,24)20-11-3-2-4-12-20/h5-6,8-9H,2-4,7,10-12H2,1H3/p+1