[2,2-dimethyl-3-[[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]azaniumyl]propyl]-dimethyl-azanium

Systemtic Name: [2,2-dimethyl-3-[[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]azaniumyl]propyl]-dimethyl-azanium Openeye Name: [2,2-dimethyl-3-[[2-(4-methylanilino)-2-oxo-ethyl]ammonio]propyl]-dimethyl-ammonium CAS Name: [2,2-dimethyl-3-[[2-(4-methylanilino)-2-oxoethyl]ammonio]propyl]-dimethylammonium IUPAC Name: [2,2-dimethyl-3-[[2-(4-methylanilino)-2-oxoethyl]azaniumyl]propyl]-dimethylazanium Traditional Name: [3-[[2-keto-2-(p-toluidino)ethyl]ammonio]-2,2-dimethyl-propyl]-dimethyl-ammonium Formula: C16H29N3O+2 MolecularWeight: 279.42096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH2+]CC(C)(C)C[NH+](C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH2+]CC(C)(C)C[NH+](C)C

InChI

InChI=1S/C16H27N3O/c1-13-6-8-14(9-7-13)18-15(20)10-17-11-16(2,3)12-19(4)5/h6-9,17H,10-12H2,1-5H3,(H,18,20)/p+2