(5-bromanyl-2-methoxy-phenyl)methyl-[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)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]-[(5-bromo-2-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-[(5-bromo-2-methoxyphenyl)methyl]-methylammonium IUPAC Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-[(5-bromo-2-methoxyphenyl)methyl]-methylazanium Traditional Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl]-(5-bromo-2-methoxy-benzyl)-methyl-ammonium Formula: C20H22BrN2O5+ MolecularWeight: 450.30308

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+](C)CC3=C(C=CC(=C3)Br)OC)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+](C)CC3=C(C=CC(=C3)Br)OC)OCO2

InChI

InChI=1S/C20H21BrN2O5/c1-12(24)15-7-18-19(28-11-27-18)8-16(15)22-20(25)10-23(2)9-13-6-14(21)4-5-17(13)26-3/h4-8H,9-11H2,1-3H3,(H,22,25)/p+1