3-(3,5-dimethylphenoxy)propyl-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 3-(3,5-dimethylphenoxy)propyl-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: [2-(2,3-dimethylanilino)-2-oxo-ethyl]-[3-(3,5-dimethylphenoxy)propyl]-methyl-ammonium CAS Name: [2-(2,3-dimethylanilino)-2-oxoethyl]-[3-(3,5-dimethylphenoxy)propyl]-methylammonium IUPAC Name: [2-(2,3-dimethylanilino)-2-oxoethyl]-[3-(3,5-dimethylphenoxy)propyl]-methylazanium Traditional Name: [2-(2,3-dimethylanilino)-2-keto-ethyl]-[3-(3,5-dimethylphenoxy)propyl]-methyl-ammonium Formula: C22H31N2O2+ MolecularWeight: 355.49374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+](C)CCCOC2=CC(=CC(=C2)C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+](C)CCCOC2=CC(=CC(=C2)C)C)C

InChI

InChI=1S/C22H30N2O2/c1-16-12-17(2)14-20(13-16)26-11-7-10-24(5)15-22(25)23-21-9-6-8-18(3)19(21)4/h6,8-9,12-14H,7,10-11,15H2,1-5H3,(H,23,25)/p+1