2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium Traditional Name: homoveratryl-[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]-methyl-ammonium Formula: C17H24N3O4+ MolecularWeight: 334.39016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C[NH+](C)CCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C[NH+](C)CCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C17H23N3O4/c1-12-9-16(19-24-12)18-17(21)11-20(2)8-7-13-5-6-14(22-3)15(10-13)23-4/h5-6,9-10H,7-8,11H2,1-4H3,(H,18,19,21)/p+1