[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: [2-(2,6-dimethylanilino)-2-oxoethyl]-methyl-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: [2-(2,6-dimethylanilino)-2-keto-ethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C17H29N3O+2 MolecularWeight: 291.43166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+](C)C2CC[NH+](CC2)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+](C)C2CC[NH+](CC2)C

InChI

InChI=1S/C17H27N3O/c1-13-6-5-7-14(2)17(13)18-16(21)12-20(4)15-8-10-19(3)11-9-15/h5-7,15H,8-12H2,1-4H3,(H,18,21)/p+2