ethyl 3,4-dimethyl-5-[(E)-(3,4,5-trimethylpyrrol-1-ium-2-ylidene)methyl]-1H-pyrrole-2-carboxylate bromide

Systemtic Name: ethyl 3,4-dimethyl-5-[(E)-(3,4,5-trimethylpyrrol-1-ium-2-ylidene)methyl]-1H-pyrrole-2-carboxylate bromide Openeye Name: ethyl 3,4-dimethyl-5-[(E)-(3,4,5-trimethylpyrrol-1-ium-2-ylidene)methyl]-1H-pyrrole-2-carboxylate bromide CAS Name: 3,4-dimethyl-5-[(E)-(3,4,5-trimethyl-2-pyrrol-1-iumylidene)methyl]-1H-pyrrole-2-carboxylic acid ethyl ester bromide IUPAC Name: ethyl 3,4-dimethyl-5-[(E)-(3,4,5-trimethylpyrrol-1-ium-2-ylidene)methyl]-1H-pyrrole-2-carboxylate bromide Traditional Name: 3,4-dimethyl-5-[(E)-(3,4,5-trimethylpyrrol-1-ium-2-ylidene)methyl]-1H-pyrrole-2-carboxylic acid ethyl ester bromide Formula: C17H23BrN2O2 MolecularWeight: 367.28072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C=C2C(=C(C(=[NH+]2)C)C)C)C)C.[Br-]

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)/C=C/2\C(=C(C(=[NH+]2)C)C)C)C)C.[Br-]

InChI

InChI=1S/C17H22N2O2.BrH/c1-7-21-17(20)16-12(5)11(4)15(19-16)8-14-10(3)9(2)13(6)18-14;/h8,19H,7H2,1-6H3;1H/b14-8+;