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

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl-[(1R)-1-naphthalen-1-ylethyl]azanium Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl-[(1R)-1-(1-naphthyl)ethyl]ammonium CAS Name: (7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl-[(1R)-1-(1-naphthalenyl)ethyl]ammonium IUPAC Name: (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-[(1R)-1-naphthalen-1-ylethyl]azanium Traditional Name: (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl-[(1R)-1-(1-naphthyl)ethyl]ammonium Formula: C21H19BrN3O+ MolecularWeight: 409.29906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)[NH2+]CC3=CC(=O)N4C=C(C=CC4=N3)Br

Isomeric SMILES

C[C@H](C1=CC=CC2=CC=CC=C21)[NH2+]CC3=CC(=O)N4C=C(C=CC4=N3)Br

InChI

InChI=1S/C21H18BrN3O/c1-14(18-8-4-6-15-5-2-3-7-19(15)18)23-12-17-11-21(26)25-13-16(22)9-10-20(25)24-17/h2-11,13-14,23H,12H2,1H3/p+1/t14-/m1/s1