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

Systemtic Name: 3-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-oxidanylidene-propan-2-yl]quinazolin-4-one Openeye Name: 3-[(1S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-methyl-2-oxo-ethyl]quinazolin-4-one CAS Name: 3-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-1-oxopropan-2-yl]-4-quinazolinone IUPAC Name: 3-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-oxopropan-2-yl]quinazolin-4-one Traditional Name: 3-[(1S)-2-keto-1-methyl-2-(4-piperonylpiperazin-4-ium-1-yl)ethyl]quinazolin-4-one Formula: C23H25N4O4+ MolecularWeight: 421.469

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4O4/c1-16(27-14-24-19-5-3-2-4-18(19)23(27)29)22(28)26-10-8-25(9-11-26)13-17-6-7-20-21(12-17)31-15-30-20/h2-7,12,14,16H,8-11,13,15H2,1H3/p+1/t16-/m0/s1