5-[[4-[(1-methylcyclohexyl)methoxy]phenyl]methyl]-2-oxidanylidene-1,2,3-thiadiazolidin-2-ium-4-one

Systemtic Name: 5-[[4-[(1-methylcyclohexyl)methoxy]phenyl]methyl]-2-oxidanylidene-1,2,3-thiadiazolidin-2-ium-4-one Openeye Name: 5-[[4-[(1-methylcyclohexyl)methoxy]phenyl]methyl]-2-oxo-thiadiazolidin-2-ium-4-one CAS Name: 5-[[4-[(1-methylcyclohexyl)methoxy]phenyl]methyl]-2-oxo-4-thiadiazolidin-2-iumone IUPAC Name: 5-[[4-[(1-methylcyclohexyl)methoxy]phenyl]methyl]-2-oxothiadiazolidin-2-ium-4-one Traditional Name: 2-keto-5-[4-[(1-methylcyclohexyl)methoxy]benzyl]thiadiazolidin-2-ium-4-one Formula: C17H23N2O3S+ MolecularWeight: 335.44112

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1)COC2=CC=C(C=C2)CC3C(=O)N[N+](=O)S3

Isomeric SMILES

CC1(CCCCC1)COC2=CC=C(C=C2)CC3C(=O)N[N+](=O)S3

InChI

InChI=1S/C17H22N2O3S/c1-17(9-3-2-4-10-17)12-22-14-7-5-13(6-8-14)11-15-16(20)18-19(21)23-15/h5-8,15H,2-4,9-12H2,1H3/p+1