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

Systemtic Name: 2-(4-chloranylphenoxy)ethyl-[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-chlorophenoxy)ethyl]-methyl-ammonium CAS Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-[2-(4-chlorophenoxy)ethyl]-methylammonium IUPAC Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-[2-(4-chlorophenoxy)ethyl]-methylazanium Traditional Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl]-[2-(4-chlorophenoxy)ethyl]-methyl-ammonium Formula: C20H22ClN2O5+ MolecularWeight: 405.85208

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+](C)CCOC3=CC=C(C=C3)Cl)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+](C)CCOC3=CC=C(C=C3)Cl)OCO2

InChI

InChI=1S/C20H21ClN2O5/c1-13(24)16-9-18-19(28-12-27-18)10-17(16)22-20(25)11-23(2)7-8-26-15-5-3-14(21)4-6-15/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,22,25)/p+1