(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl-methyl-[(4-propan-2-ylphenyl)methyl]azanium

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl-methyl-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl-[(4-isopropylphenyl)methyl]-methyl-ammonium CAS Name: (7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl-methyl-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-methyl-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl-(4-isopropylbenzyl)-methyl-ammonium Formula: C20H23BrN3O+ MolecularWeight: 401.32012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+](C)CC2=CC(=O)N3C=C(C=CC3=N2)Br

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+](C)CC2=CC(=O)N3C=C(C=CC3=N2)Br

InChI

InChI=1S/C20H22BrN3O/c1-14(2)16-6-4-15(5-7-16)11-23(3)13-18-10-20(25)24-12-17(21)8-9-19(24)22-18/h4-10,12,14H,11,13H2,1-3H3/p+1