8-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-5H-pyrido[2,1-b]quinazolin-10-ium-11-one

Systemtic Name: 8-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-5H-pyrido[2,1-b]quinazolin-10-ium-11-one Openeye Name: 8-(4-benzylpiperazin-4-ium-1-carbonyl)-5H-pyrido[2,1-b]quinazolin-10-ium-11-one CAS Name: 8-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-5H-pyrido[2,1-b]quinazolin-10-ium-11-one IUPAC Name: 8-(4-benzylpiperazin-4-ium-1-carbonyl)-5H-pyrido[2,1-b]quinazolin-10-ium-11-one Traditional Name: 8-(4-benzylpiperazin-4-ium-1-carbonyl)-5H-pyrido[2,1-b]quinazolin-10-ium-11-one Formula: C24H24N4O2+2 MolecularWeight: 400.47296

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=C[N+]4=C(C=C3)NC5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=C[N+]4=C(C=C3)NC5=CC=CC=C5C4=O

InChI

InChI=1S/C24H22N4O2/c29-23(27-14-12-26(13-15-27)16-18-6-2-1-3-7-18)19-10-11-22-25-21-9-5-4-8-20(21)24(30)28(22)17-19/h1-11,17H,12-16H2/p+2