(2,4-dimethylphenyl)methyl-[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (2,4-dimethylphenyl)methyl-[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl]-[(2,4-dimethylphenyl)methyl]-methyl-ammonium CAS Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylammonium IUPAC Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium Traditional Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl]-(2,4-dimethylbenzyl)-methyl-ammonium Formula: C21H25N2O4+ MolecularWeight: 369.4342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C[NH+](C)CC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C[NH+](C)CC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3)C

InChI

InChI=1S/C21H24N2O4/c1-13-5-6-16(14(2)7-13)10-23(4)11-21(25)22-18-9-20-19(26-12-27-20)8-17(18)15(3)24/h5-9H,10-12H2,1-4H3,(H,22,25)/p+1