3,3,5,5-tetramethyl-4-(2-methylheptan-2-yl)-1,4-dihydro-1,2-diazepin-2-ium 2-oxide

Systemtic Name: 3,3,5,5-tetramethyl-4-(2-methylheptan-2-yl)-1,4-dihydro-1,2-diazepin-2-ium 2-oxide Openeye Name: 4-(1,1-dimethylhexyl)-3,3,5,5-tetramethyl-1,4-dihydrodiazepin-2-ium 2-oxide CAS Name: 3,3,5,5-tetramethyl-4-(2-methylheptan-2-yl)-1,4-dihydrodiazepin-2-ium 2-oxide IUPAC Name: 3,3,5,5-tetramethyl-4-(2-methylheptan-2-yl)-1,4-dihydrodiazepin-2-ium 2-oxide Traditional Name: 4-(1,1-dimethylhexyl)-3,3,5,5-tetramethyl-1,4-dihydrodiazepin-2-ium 2-oxide Formula: C17H33N2O+ MolecularWeight: 281.45672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1C(C=CN[N+](=O)C1(C)C)(C)C

Isomeric SMILES

CCCCCC(C)(C)C1C(C=CN[N+](=O)C1(C)C)(C)C

InChI

InChI=1S/C17H33N2O/c1-8-9-10-11-15(2,3)14-16(4,5)12-13-18-19(20)17(14,6)7/h12-14H,8-11H2,1-7H3,(H,18,20)/q+1