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

Systemtic Name: 2-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-oxidanylidene-propan-2-yl]isoindole-1,3-dione Openeye Name: 2-[(1S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-methyl-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-1-oxopropan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione Traditional Name: 2-[(1S)-2-keto-1-methyl-2-(4-piperonylpiperazin-4-ium-1-yl)ethyl]isoindoline-1,3-quinone Formula: C23H24N3O5+ MolecularWeight: 422.45376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C[C@@H](C(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C23H23N3O5/c1-15(26-22(28)17-4-2-3-5-18(17)23(26)29)21(27)25-10-8-24(9-11-25)13-16-6-7-19-20(12-16)31-14-30-19/h2-7,12,15H,8-11,13-14H2,1H3/p+1/t15-/m0/s1