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

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)methyl-[2-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (5-chloro-2-methoxy-phenyl)methyl-[2-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl]-methyl-ammonium CAS Name: (5-chloro-2-methoxyphenyl)methyl-[2-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-methylammonium IUPAC Name: (5-chloro-2-methoxyphenyl)methyl-[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]-(5-chloro-2-methoxy-benzyl)-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)CC2=C(C=CC(=C2)Cl)OC)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)C[NH+](C)CC2=C(C=CC(=C2)Cl)OC)C)C

InChI

InChI=1S/C20H25ClN2O4/c1-6-27-20(25)19-13(3)22-12(2)18(19)16(24)11-23(4)10-14-9-15(21)7-8-17(14)26-5/h7-9,22H,6,10-11H2,1-5H3/p+1