N-[4-[2-(4-methylquinolin-1-ium-1-yl)ethanoyl]phenyl]benzamide bromide

Systemtic Name: N-[4-[2-(4-methylquinolin-1-ium-1-yl)ethanoyl]phenyl]benzamide bromide Openeye Name: N-[4-[2-(4-methylquinolin-1-ium-1-yl)acetyl]phenyl]benzamide bromide CAS Name: N-[4-[2-(4-methyl-1-quinolin-1-iumyl)-1-oxoethyl]phenyl]benzamide bromide IUPAC Name: N-[4-[2-(4-methylquinolin-1-ium-1-yl)acetyl]phenyl]benzamide bromide Traditional Name: N-[4-[2-(4-methylquinolin-1-ium-1-yl)acetyl]phenyl]benzamide bromide Formula: C25H21BrN2O2 MolecularWeight: 461.35044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C2=CC=CC=C12)CC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CC1=CC=[N+](C2=CC=CC=C12)CC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C25H20N2O2.BrH/c1-18-15-16-27(23-10-6-5-9-22(18)23)17-24(28)19-11-13-21(14-12-19)26-25(29)20-7-3-2-4-8-20;/h2-16H,17H2,1H3;1H