2-[2-(2,5-dimethyl-1-pentyl-pyrrol-3-yl)ethenyl]-1,6-dimethyl-quinolin-1-ium chloride

Systemtic Name: 2-[2-(2,5-dimethyl-1-pentyl-pyrrol-3-yl)ethenyl]-1,6-dimethyl-quinolin-1-ium chloride Openeye Name: 2-[2-(2,5-dimethyl-1-pentyl-pyrrol-3-yl)vinyl]-1,6-dimethyl-quinolin-1-ium chloride CAS Name: 2-[2-(2,5-dimethyl-1-pentyl-3-pyrrolyl)ethenyl]-1,6-dimethylquinolin-1-ium chloride IUPAC Name: 2-[2-(2,5-dimethyl-1-pentylpyrrol-3-yl)ethenyl]-1,6-dimethylquinolin-1-ium chloride Traditional Name: 2-[2-(1-amyl-2,5-dimethyl-pyrrol-3-yl)vinyl]-1,6-dimethyl-quinolin-1-ium chloride Formula: C24H31ClN2 MolecularWeight: 382.96934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=CC(=C1C)C=CC2=[N+](C3=C(C=C2)C=C(C=C3)C)C)C.[Cl-]

Isomeric SMILES

CCCCCN1C(=CC(=C1C)C=CC2=[N+](C3=C(C=C2)C=C(C=C3)C)C)C.[Cl-]

InChI

InChI=1S/C24H31N2.ClH/c1-6-7-8-15-26-19(3)17-21(20(26)4)10-12-23-13-11-22-16-18(2)9-14-24(22)25(23)5;/h9-14,16-17H,6-8,15H2,1-5H3;1H/q+1;/p-1