4-[(1-ethyl-6-nitro-quinolin-1-ium-4-yl)amino]-N-[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]benzamide bromide

Systemtic Name: 4-[(1-ethyl-6-nitro-quinolin-1-ium-4-yl)amino]-N-[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]benzamide bromide Openeye Name: 4-[(1-ethyl-6-nitro-quinolin-1-ium-4-yl)amino]-N-[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]benzamide bromide CAS Name: 4-[(1-ethyl-6-nitro-4-quinolin-1-iumyl)amino]-N-[4-[(1-ethyl-4-pyridin-1-iumyl)amino]phenyl]benzamide bromide IUPAC Name: 4-[(1-ethyl-6-nitroquinolin-1-ium-4-yl)amino]-N-[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]benzamide bromide Traditional Name: 4-[(1-ethyl-6-nitro-quinolin-1-ium-4-yl)amino]-N-[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]benzamide bromide Formula: C31H30BrN6O3+ MolecularWeight: 614.5123

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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)NC4=C5C=C(C=CC5=[N+](C=C4)CC)[N+](=O)[O-].[Br-]

Isomeric SMILES

CC[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)NC4=C5C=C(C=CC5=[N+](C=C4)CC)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C31H28N6O3.BrH/c1-3-35-18-15-26(16-19-35)32-23-9-11-25(12-10-23)34-31(38)22-5-7-24(8-6-22)33-29-17-20-36(4-2)30-14-13-27(37(39)40)21-28(29)30;/h5-21H,3-4H2,1-2H3,(H,34,38);1H/p+1