7-bromanyl-2-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 7-bromanyl-2-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-7-bromo-pyrido[1,2-a]pyrimidin-4-one CAS Name: 7-bromo-2-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-7-bromopyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-7-bromo-pyrido[1,2-a]pyrimidin-4-one Formula: C20H23BrN4O+2 MolecularWeight: 415.32682

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=CC(=O)N4C=C(C=CC4=N3)Br

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=CC(=O)N4C=C(C=CC4=N3)Br

InChI

InChI=1S/C20H21BrN4O/c21-17-6-7-19-22-18(12-20(26)25(19)14-17)15-24-10-8-23(9-11-24)13-16-4-2-1-3-5-16/h1-7,12,14H,8-11,13,15H2/p+2