3-[(2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-oxidanylidene-butan-2-yl]quinazolin-4-one

Systemtic Name: 3-[(2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-oxidanylidene-butan-2-yl]quinazolin-4-one Openeye Name: 3-[(1R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]propyl]quinazolin-4-one CAS Name: 3-[(2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-1-oxobutan-2-yl]-4-quinazolinone IUPAC Name: 3-[(2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-oxobutan-2-yl]quinazolin-4-one Traditional Name: 3-[(1R)-1-(4-piperonylpiperazin-4-ium-1-carbonyl)propyl]quinazolin-4-one Formula: C24H27N4O4+ MolecularWeight: 435.49558

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3)N4C=NC5=CC=CC=C5C4=O

Isomeric SMILES

CC[C@H](C(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3)N4C=NC5=CC=CC=C5C4=O

InChI

InChI=1S/C24H26N4O4/c1-2-20(28-15-25-19-6-4-3-5-18(19)23(28)29)24(30)27-11-9-26(10-12-27)14-17-7-8-21-22(13-17)32-16-31-21/h3-8,13,15,20H,2,9-12,14,16H2,1H3/p+1/t20-/m1/s1