methyl 2-(6-bromanyl-2-methyl-4-phenyl-1,4-dihydroquinazolin-3-ium-3-yl)ethanoate bromide

Systemtic Name: methyl 2-(6-bromanyl-2-methyl-4-phenyl-1,4-dihydroquinazolin-3-ium-3-yl)ethanoate bromide Openeye Name: methyl 2-(6-bromo-2-methyl-4-phenyl-1,4-dihydroquinazolin-3-ium-3-yl)acetate bromide CAS Name: 2-(6-bromo-2-methyl-4-phenyl-1,4-dihydroquinazolin-3-ium-3-yl)acetic acid methyl ester bromide IUPAC Name: methyl 2-(6-bromo-2-methyl-4-phenyl-1,4-dihydroquinazolin-3-ium-3-yl)acetate bromide Traditional Name: 2-(6-bromo-2-methyl-4-phenyl-1,4-dihydroquinazolin-3-ium-3-yl)acetic acid methyl ester bromide Formula: C18H18Br2N2O2 MolecularWeight: 454.15572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(C2=C(N1)C=CC(=C2)Br)C3=CC=CC=C3)CC(=O)OC.[Br-]

Isomeric SMILES

CC1=[N+](C(C2=C(N1)C=CC(=C2)Br)C3=CC=CC=C3)CC(=O)OC.[Br-]

InChI

InChI=1S/C18H17BrN2O2.BrH/c1-12-20-16-9-8-14(19)10-15(16)18(13-6-4-3-5-7-13)21(12)11-17(22)23-2;/h3-10,18H,11H2,1-2H3;1H