[1-[(4-tert-butylpyridin-1-ium-1-yl)methoxymethyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium dichloride

Systemtic Name: [1-[(4-tert-butylpyridin-1-ium-1-yl)methoxymethyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium dichloride Openeye Name: [1-[(4-tert-butylpyridin-1-ium-1-yl)methoxymethyl]-4-pyridylidene]methyl-oxo-ammonium dichloride CAS Name: [1-[(4-tert-butyl-1-pyridin-1-iumyl)methoxymethyl]-4-pyridinylidene]methyl-oxoammonium dichloride IUPAC Name: [1-[(4-tert-butylpyridin-1-ium-1-yl)methoxymethyl]pyridin-4-ylidene]methyl-oxoazanium dichloride Traditional Name: [1-[(4-tert-butylpyridin-1-ium-1-yl)methoxymethyl]-4-pyridylidene]methyl-keto-ammonium dichloride Formula: C17H23Cl2N3O2 MolecularWeight: 372.28942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N3O2.2ClH/c1-17(2,3)16-6-10-20(11-7-16)14-22-13-19-8-4-15(5-9-19)12-18-21;;/h4-12H,13-14H2,1-3H3;2*1H/q+1;;/p-1