4-azanyl-N-[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]benzamide bromide

Systemtic Name: 4-azanyl-N-[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]benzamide bromide Openeye Name: 4-amino-N-[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]benzamide bromide CAS Name: 4-amino-N-[4-[(1-ethyl-4-pyridin-1-iumyl)amino]phenyl]benzamide bromide IUPAC Name: 4-amino-N-[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]benzamide bromide Traditional Name: 4-amino-N-[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]benzamide bromide Formula: C20H21BrN4O MolecularWeight: 413.31094

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)N.[Br-]

Isomeric SMILES

CC[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)N.[Br-]

InChI

InChI=1S/C20H20N4O.BrH/c1-2-24-13-11-19(12-14-24)22-17-7-9-18(10-8-17)23-20(25)15-3-5-16(21)6-4-15;/h3-14H,2H2,1H3,(H3,21,23,25);1H