(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl-[(1R)-2-methyl-1-phenyl-propyl]azanium

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl-[(1R)-2-methyl-1-phenyl-propyl]azanium Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl-[(1R)-2-methyl-1-phenyl-propyl]ammonium CAS Name: (7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl-[(1R)-2-methyl-1-phenylpropyl]ammonium IUPAC Name: (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-[(1R)-2-methyl-1-phenylpropyl]azanium Traditional Name: (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl-[(1R)-2-methyl-1-phenyl-propyl]ammonium Formula: C19H21BrN3O+ MolecularWeight: 387.29354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CC=C1)[NH2+]CC2=CC(=O)N3C=C(C=CC3=N2)Br

Isomeric SMILES

CC(C)[C@H](C1=CC=CC=C1)[NH2+]CC2=CC(=O)N3C=C(C=CC3=N2)Br

InChI

InChI=1S/C19H20BrN3O/c1-13(2)19(14-6-4-3-5-7-14)21-11-16-10-18(24)23-12-15(20)8-9-17(23)22-16/h3-10,12-13,19,21H,11H2,1-2H3/p+1/t19-/m1/s1