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

Systemtic Name: (4-dimethylaminophenyl)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]-[(4-dimethylaminophenyl)methyl]-methyl-ammonium CAS Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-[(4-dimethylaminophenyl)methyl]-methylammonium IUPAC Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-[(4-dimethylaminophenyl)methyl]-methylazanium Traditional Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl]-[4-(dimethylamino)benzyl]-methyl-ammonium Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4/c1-14(25)17-9-19-20(28-13-27-19)10-18(17)22-21(26)12-24(4)11-15-5-7-16(8-6-15)23(2)3/h5-10H,11-13H2,1-4H3,(H,22,26)/p+1