8-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonylpyrido[2,1-b]quinazolin-11-one

Systemtic Name: 8-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonylpyrido[2,1-b]quinazolin-11-one Openeye Name: 8-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]pyrido[2,1-b]quinazolin-11-one CAS Name: 8-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-11-pyrido[2,1-b]quinazolinone IUPAC Name: 8-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]pyrido[2,1-b]quinazolin-11-one Traditional Name: 8-(4-piperonylpiperazin-4-ium-1-carbonyl)pyrido[2,1-b]quinazolin-11-one Formula: C25H23N4O4+ MolecularWeight: 443.47452

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CN5C(=NC6=CC=CC=C6C5=O)C=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CN5C(=NC6=CC=CC=C6C5=O)C=C4

InChI

InChI=1S/C25H22N4O4/c30-24(18-6-8-23-26-20-4-2-1-3-19(20)25(31)29(23)15-18)28-11-9-27(10-12-28)14-17-5-7-21-22(13-17)33-16-32-21/h1-8,13,15H,9-12,14,16H2/p+1