2-(azepan-1-ium-1-ylmethyl)-7-bromanyl-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-(azepan-1-ium-1-ylmethyl)-7-bromanyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-(azepan-1-ium-1-ylmethyl)-7-bromo-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-(1-azepan-1-iumylmethyl)-7-bromo-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-(azepan-1-ium-1-ylmethyl)-7-bromopyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-(azepan-1-ium-1-ylmethyl)-7-bromo-pyrido[1,2-a]pyrimidin-4-one Formula: C15H19BrN3O+ MolecularWeight: 337.23486

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CC(=O)N3C=C(C=CC3=N2)Br

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CC(=O)N3C=C(C=CC3=N2)Br

InChI

InChI=1S/C15H18BrN3O/c16-12-5-6-14-17-13(9-15(20)19(14)10-12)11-18-7-3-1-2-4-8-18/h5-6,9-10H,1-4,7-8,11H2/p+1