3-[4-[(1E,3E)-4-phenylazanylbuta-1,3-dienyl]quinolin-1-ium-1-yl]propanoic acid bromide

Systemtic Name: 3-[4-[(1E,3E)-4-phenylazanylbuta-1,3-dienyl]quinolin-1-ium-1-yl]propanoic acid bromide Openeye Name: 3-[4-[(1E,3E)-4-anilinobuta-1,3-dienyl]quinolin-1-ium-1-yl]propanoic acid bromide CAS Name: 3-[4-[(1E,3E)-4-anilinobuta-1,3-dienyl]-1-quinolin-1-iumyl]propanoic acid bromide IUPAC Name: 3-[4-[(1E,3E)-4-anilinobuta-1,3-dienyl]quinolin-1-ium-1-yl]propanoic acid bromide Traditional Name: 3-[4-[(1E,3E)-4-anilinobuta-1,3-dienyl]quinolin-1-ium-1-yl]propionic acid bromide Formula: C22H21BrN2O2 MolecularWeight: 425.31834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC=CC=CC2=CC=[N+](C3=CC=CC=C23)CCC(=O)O.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)N/C=C/C=C/C2=CC=[N+](C3=CC=CC=C23)CCC(=O)O.[Br-]

InChI

InChI=1S/C22H20N2O2.BrH/c25-22(26)14-17-24-16-13-18(20-11-4-5-12-21(20)24)8-6-7-15-23-19-9-2-1-3-10-19;/h1-13,15-16H,14,17H2,(H,25,26);1H