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

Systemtic Name: [2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]-[(4-ethoxyphenyl)methyl]-methyl-azanium Openeye Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl]-[(4-ethoxyphenyl)methyl]-methyl-ammonium CAS Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylammonium IUPAC Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium Traditional Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl]-(4-ethoxybenzyl)-methyl-ammonium Formula: C21H25N2O5+ MolecularWeight: 385.4336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+](C)CC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+](C)CC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3

InChI

InChI=1S/C21H24N2O5/c1-4-26-16-7-5-15(6-8-16)11-23(3)12-21(25)22-18-10-20-19(27-13-28-20)9-17(18)14(2)24/h5-10H,4,11-13H2,1-3H3,(H,22,25)/p+1