7-bromanyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 7-bromanyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one Openeye Name: 7-bromo-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one CAS Name: 7-bromo-2-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 7-bromo-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one Traditional Name: 7-bromo-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one Formula: C18H20BrN5O+2 MolecularWeight: 402.2883

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)N3C=C(C=CC3=N2)Br)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)N3C=C(C=CC3=N2)Br)C4=CC=CC=[NH+]4

InChI

InChI=1S/C18H18BrN5O/c19-14-4-5-17-21-15(11-18(25)24(17)12-14)13-22-7-9-23(10-8-22)16-3-1-2-6-20-16/h1-6,11-12H,7-10,13H2/p+2