3-[5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-5-oxidanylidene-pentyl]-1H-quinazoline-2,4-dione

Systemtic Name: 3-[5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-5-oxidanylidene-pentyl]-1H-quinazoline-2,4-dione Openeye Name: 3-[5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-5-oxo-pentyl]-1H-quinazoline-2,4-dione CAS Name: 3-[5-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-5-oxopentyl]-1H-quinazoline-2,4-dione IUPAC Name: 3-[5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-5-oxopentyl]-1H-quinazoline-2,4-dione Traditional Name: 3-[5-keto-5-(4-piperonylpiperazin-4-ium-1-yl)pentyl]-1H-quinazoline-2,4-quinone Formula: C25H29N4O5+ MolecularWeight: 465.52156

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CCCCN4C(=O)C5=CC=CC=C5NC4=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CCCCN4C(=O)C5=CC=CC=C5NC4=O

InChI

InChI=1S/C25H28N4O5/c30-23(7-3-4-10-29-24(31)19-5-1-2-6-20(19)26-25(29)32)28-13-11-27(12-14-28)16-18-8-9-21-22(15-18)34-17-33-21/h1-2,5-6,8-9,15H,3-4,7,10-14,16-17H2,(H,26,32)/p+1