2-[(Z)-(3,4-dimethylpyrrol-1-ium-2-ylidene)methyl]-3,4-dimethyl-1H-pyrrole bromide

Systemtic Name: 2-[(Z)-(3,4-dimethylpyrrol-1-ium-2-ylidene)methyl]-3,4-dimethyl-1H-pyrrole bromide Openeye Name: 2-[(Z)-(3,4-dimethylpyrrol-1-ium-2-ylidene)methyl]-3,4-dimethyl-1H-pyrrole bromide CAS Name: 2-[(Z)-(3,4-dimethyl-2-pyrrol-1-iumylidene)methyl]-3,4-dimethyl-1H-pyrrole bromide IUPAC Name: 2-[(Z)-(3,4-dimethylpyrrol-1-ium-2-ylidene)methyl]-3,4-dimethyl-1H-pyrrole bromide Traditional Name: 2-[(Z)-(3,4-dimethylpyrrol-1-ium-2-ylidene)methyl]-3,4-dimethyl-1H-pyrrole bromide Formula: C13H17BrN2 MolecularWeight: 281.19148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CNC(=C1C)C=C2C(=C(C=[NH+]2)C)C.[Br-]

Isomeric SMILES

CC1=CNC(=C1C)/C=C\2/C(=C(C=[NH+]2)C)C.[Br-]

InChI

InChI=1S/C13H16N2.BrH/c1-8-6-14-12(10(8)3)5-13-11(4)9(2)7-15-13;/h5-7,14H,1-4H3;1H/b13-5-;