3-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-oxidanylidene-hexyl]quinazolin-4-one

Systemtic Name: 3-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-oxidanylidene-hexyl]quinazolin-4-one Openeye Name: 3-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-oxo-hexyl]quinazolin-4-one CAS Name: 3-[6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-6-oxohexyl]-4-quinazolinone IUPAC Name: 3-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-oxohexyl]quinazolin-4-one Traditional Name: 3-[6-keto-6-(4-piperonylpiperazin-4-ium-1-yl)hexyl]quinazolin-4-one Formula: C26H31N4O4+ MolecularWeight: 463.54874

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CCCCCN4C=NC5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CCCCCN4C=NC5=CC=CC=C5C4=O

InChI

InChI=1S/C26H30N4O4/c31-25(8-2-1-5-11-30-18-27-22-7-4-3-6-21(22)26(30)32)29-14-12-28(13-15-29)17-20-9-10-23-24(16-20)34-19-33-23/h3-4,6-7,9-10,16,18H,1-2,5,8,11-15,17,19H2/p+1