2-(4-chloranylphenoxy)ethyl-[2-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 2-(4-chloranylphenoxy)ethyl-[2-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 2-(4-chlorophenoxy)ethyl-[2-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl]-methyl-ammonium CAS Name: 2-(4-chlorophenoxy)ethyl-[2-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-methylammonium IUPAC Name: 2-(4-chlorophenoxy)ethyl-[2-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-methylazanium Traditional Name: [2-(4-carbethoxy-2,5-dimethyl-1H-pyrrol-3-yl)-2-keto-ethyl]-[2-(4-chlorophenoxy)ethyl]-methyl-ammonium Formula: C20H26ClN2O4+ MolecularWeight: 393.88444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)C[NH+](C)CCOC2=CC=C(C=C2)Cl)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)C[NH+](C)CCOC2=CC=C(C=C2)Cl)C)C

InChI

InChI=1S/C20H25ClN2O4/c1-5-26-20(25)19-14(3)22-13(2)18(19)17(24)12-23(4)10-11-27-16-8-6-15(21)7-9-16/h6-9,22H,5,10-12H2,1-4H3/p+1