oxidanylidene-[[1-[(4-propan-2-ylsulfanylpyridin-1-ium-1-yl)methoxymethyl]pyridin-4-ylidene]methyl]azanium dichloride

Systemtic Name: oxidanylidene-[[1-[(4-propan-2-ylsulfanylpyridin-1-ium-1-yl)methoxymethyl]pyridin-4-ylidene]methyl]azanium dichloride Openeye Name: [1-[(4-isopropylsulfanylpyridin-1-ium-1-yl)methoxymethyl]-4-pyridylidene]methyl-oxo-ammonium dichloride CAS Name: oxo-[[1-[[4-(propan-2-ylthio)-1-pyridin-1-iumyl]methoxymethyl]-4-pyridinylidene]methyl]ammonium dichloride IUPAC Name: oxo-[[1-[(4-propan-2-ylsulfanylpyridin-1-ium-1-yl)methoxymethyl]pyridin-4-ylidene]methyl]azanium dichloride Traditional Name: [1-[[4-(isopropylthio)pyridin-1-ium-1-yl]methoxymethyl]-4-pyridylidene]methyl-keto-ammonium dichloride Formula: C16H21Cl2N3O2S MolecularWeight: 390.32784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=[N+](C=C1)COCN2C=CC(=C[NH+]=O)C=C2.[Cl-].[Cl-]

Isomeric SMILES

CC(C)SC1=CC=[N+](C=C1)COCN2C=CC(=C[NH+]=O)C=C2.[Cl-].[Cl-]

InChI

InChI=1S/C16H20N3O2S.2ClH/c1-14(2)22-16-5-9-19(10-6-16)13-21-12-18-7-3-15(4-8-18)11-17-20;;/h3-11,14H,12-13H2,1-2H3;2*1H/q+1;;/p-1