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

Systemtic Name: 2-[(E)-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethenyl]-1-ethyl-quinolin-1-ium Openeye Name: 2-[(E)-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)vinyl]-1-ethyl-quinolin-1-ium CAS Name: 2-[(E)-2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)ethenyl]-1-ethylquinolin-1-ium IUPAC Name: 2-[(E)-2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethenyl]-1-ethylquinolin-1-ium Traditional Name: 2-[(E)-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)vinyl]-1-ethyl-quinolin-1-ium Formula: C25H25N2+ MolecularWeight: 353.4794

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C=CC2=CC=CC=C21)C=CC3=C(N(C(=C3)C)C4=CC=CC=C4)C

Isomeric SMILES

CC[N+]1=C(C=CC2=CC=CC=C21)/C=C/C3=C(N(C(=C3)C)C4=CC=CC=C4)C

InChI

InChI=1S/C25H25N2/c1-4-26-23(16-14-21-10-8-9-13-25(21)26)17-15-22-18-19(2)27(20(22)3)24-11-6-5-7-12-24/h5-18H,4H2,1-3H3/q+1