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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1)COC2C(=O)N([N+](=O)S2)CC3=CC=CC=C3

Isomeric SMILES

CC1(CCCCC1)COC2C(=O)N([N+](=O)S2)CC3=CC=CC=C3

InChI

InChI=1S/C17H23N2O3S/c1-17(10-6-3-7-11-17)13-22-16-15(20)18(19(21)23-16)12-14-8-4-2-5-9-14/h2,4-5,8-9,16H,3,6-7,10-13H2,1H3/q+1