(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-methyl-azanium

Systemtic Name: (7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-methyl-azanium Openeye Name: (4-benzyloxy-3-methoxy-phenyl)methyl-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-methyl-ammonium CAS Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylammonium IUPAC Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium Traditional Name: (4-benzoxy-3-methoxy-benzyl)-[(7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-methyl-ammonium Formula: C25H26BrN3O3+2 MolecularWeight: 496.39624

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)CC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br

Isomeric SMILES

C[NH+](CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)CC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br

InChI

InChI=1S/C25H24BrN3O3/c1-28(16-21-13-25(30)29-15-20(26)9-11-24(29)27-21)14-19-8-10-22(23(12-19)31-2)32-17-18-6-4-3-5-7-18/h3-13,15H,14,16-17H2,1-2H3/p+2