[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Openeye Name: (4-allyloxyphenyl)methyl-[2-(3,5-dimethylanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-(3,5-dimethylanilino)-2-oxoethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]ammonium IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Traditional Name: (4-allyloxybenzyl)-[2-(3,5-dimethylanilino)-2-keto-ethyl]-methyl-ammonium Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C[NH+](C)CC2=CC=C(C=C2)OCC=C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C[NH+](C)CC2=CC=C(C=C2)OCC=C)C

InChI

InChI=1S/C21H26N2O2/c1-5-10-25-20-8-6-18(7-9-20)14-23(4)15-21(24)22-19-12-16(2)11-17(3)13-19/h5-9,11-13H,1,10,14-15H2,2-4H3,(H,22,24)/p+1