6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-2-chloranyl-pyrido[2,1-b]quinazolin-11-one

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-2-chloranyl-pyrido[2,1-b]quinazolin-11-one Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2-chloro-pyrido[2,1-b]quinazolin-11-one CAS Name: 6-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-2-chloro-11-pyrido[2,1-b]quinazolinone IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2-chloropyrido[2,1-b]quinazolin-11-one Traditional Name: 2-chloro-6-(4-piperonylpiperazin-4-ium-1-carbonyl)pyrido[2,1-b]quinazolin-11-one Formula: C25H22ClN4O4+ MolecularWeight: 477.91958

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CN5C4=NC6=C(C5=O)C=C(C=C6)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CN5C4=NC6=C(C5=O)C=C(C=C6)Cl

InChI

InChI=1S/C25H21ClN4O4/c26-17-4-5-20-19(13-17)25(32)30-7-1-2-18(23(30)27-20)24(31)29-10-8-28(9-11-29)14-16-3-6-21-22(12-16)34-15-33-21/h1-7,12-13H,8-11,14-15H2/p+1