2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethenyl]-1,7-dimethyl-quinolin-1-ium chloride

Systemtic Name: 2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethenyl]-1,7-dimethyl-quinolin-1-ium chloride Openeye Name: 2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)vinyl]-1,7-dimethyl-quinolin-1-ium chloride CAS Name: 2-[2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)ethenyl]-1,7-dimethylquinolin-1-ium chloride IUPAC Name: 2-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethenyl]-1,7-dimethylquinolin-1-ium chloride Traditional Name: 2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)vinyl]-1,7-dimethyl-quinolin-1-ium chloride Formula: C25H25ClN2 MolecularWeight: 388.9324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=CC(=[N+]2C)C=CC3=C(N(C(=C3)C)C4=CC=CC=C4)C.[Cl-]

Isomeric SMILES

CC1=CC2=C(C=C1)C=CC(=[N+]2C)C=CC3=C(N(C(=C3)C)C4=CC=CC=C4)C.[Cl-]

InChI

InChI=1S/C25H25N2.ClH/c1-18-10-11-21-12-14-23(26(4)25(21)16-18)15-13-22-17-19(2)27(20(22)3)24-8-6-5-7-9-24;/h5-17H,1-4H3;1H/q+1;/p-1