4-ethyl-2-[(E,3E)-3-(4-ethyl-3,5-dimethyl-pyrrol-1-ium-2-ylidene)prop-1-enyl]-3,5-dimethyl-1H-pyrrole bromide

Systemtic Name: 4-ethyl-2-[(E,3E)-3-(4-ethyl-3,5-dimethyl-pyrrol-1-ium-2-ylidene)prop-1-enyl]-3,5-dimethyl-1H-pyrrole bromide Openeye Name: 4-ethyl-2-[(E,3E)-3-(4-ethyl-3,5-dimethyl-pyrrol-1-ium-2-ylidene)prop-1-enyl]-3,5-dimethyl-1H-pyrrole bromide CAS Name: 4-ethyl-2-[(E,3E)-3-(4-ethyl-3,5-dimethyl-2-pyrrol-1-iumylidene)prop-1-enyl]-3,5-dimethyl-1H-pyrrole bromide IUPAC Name: 4-ethyl-2-[(E,3E)-3-(4-ethyl-3,5-dimethylpyrrol-1-ium-2-ylidene)prop-1-enyl]-3,5-dimethyl-1H-pyrrole bromide Traditional Name: 4-ethyl-2-[(E,3E)-3-(4-ethyl-3,5-dimethyl-pyrrol-1-ium-2-ylidene)prop-1-enyl]-3,5-dimethyl-1H-pyrrole bromide Formula: C19H27BrN2 MolecularWeight: 363.33508

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=CC2=C(C(=C(N2)C)CC)C)[NH+]=C1C)C.[Br-]

Isomeric SMILES

CCC1=C(/C(=C\C=C\C2=C(C(=C(N2)C)CC)C)/[NH+]=C1C)C.[Br-]

InChI

InChI=1S/C19H26N2.BrH/c1-7-16-12(3)18(20-14(16)5)10-9-11-19-13(4)17(8-2)15(6)21-19;/h9-11,20H,7-8H2,1-6H3;1H/b10-9+,19-11+;