3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]quinazolin-4-one

Systemtic Name: 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]quinazolin-4-one Openeye Name: 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxo-propyl]quinazolin-4-one CAS Name: 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-3-oxopropyl]-4-quinazolinone IUPAC Name: 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxopropyl]quinazolin-4-one Traditional Name: 3-[3-keto-3-(4-piperonylpiperazin-4-ium-1-yl)propyl]quinazolin-4-one Formula: C23H25N4O4+ MolecularWeight: 421.469

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CCN4C=NC5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CCN4C=NC5=CC=CC=C5C4=O

InChI

InChI=1S/C23H24N4O4/c28-22(7-8-27-15-24-19-4-2-1-3-18(19)23(27)29)26-11-9-25(10-12-26)14-17-5-6-20-21(13-17)31-16-30-20/h1-6,13,15H,7-12,14,16H2/p+1