2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethenyl]-N,N,1-trimethyl-quinolin-1-ium-6-amine iodide

Systemtic Name: 2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethenyl]-N,N,1-trimethyl-quinolin-1-ium-6-amine iodide Openeye Name: 2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)vinyl]-N,N,1-trimethyl-quinolin-1-ium-6-amine iodide CAS Name: 2-[2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)ethenyl]-N,N,1-trimethyl-6-quinolin-1-iumamine iodide IUPAC Name: 2-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethenyl]-N,N,1-trimethylquinolin-1-ium-6-amine iodide Traditional Name: [2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)vinyl]-1-methyl-quinolin-1-ium-6-yl]-dimethyl-amine iodide Formula: C26H28IN3 MolecularWeight: 509.42509

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C=CC3=[N+](C4=C(C=C3)C=C(C=C4)N(C)C)C.[I-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C=CC3=[N+](C4=C(C=C3)C=C(C=C4)N(C)C)C.[I-]

InChI

InChI=1S/C26H28N3.HI/c1-19-17-21(20(2)29(19)24-9-7-6-8-10-24)11-13-23-14-12-22-18-25(27(3)4)15-16-26(22)28(23)5;/h6-18H,1-5H3;1H/q+1;/p-1