2-(3-bromanylpropyl)isoindole-1,3-dione; 2-[3-(1-methylpiperazin-1-ium-1-yl)propyl]isoindole-1,3-dione

Systemtic Name: 2-(3-bromanylpropyl)isoindole-1,3-dione; 2-[3-(1-methylpiperazin-1-ium-1-yl)propyl]isoindole-1,3-dione Openeye Name: 2-(3-bromopropyl)isoindoline-1,3-dione; 2-[3-(1-methylpiperazin-1-ium-1-yl)propyl]isoindoline-1,3-dione CAS Name: 2-(3-bromopropyl)isoindole-1,3-dione; 2-[3-(1-methyl-1-piperazin-1-iumyl)propyl]isoindole-1,3-dione IUPAC Name: 2-(3-bromopropyl)isoindole-1,3-dione; 2-[3-(1-methylpiperazin-1-ium-1-yl)propyl]isoindole-1,3-dione Traditional Name: 2-(3-bromopropyl)isoindoline-1,3-quinone; 2-[3-(1-methylpiperazin-1-ium-1-yl)propyl]isoindoline-1,3-quinone Formula: C27H32BrN4O4+ MolecularWeight: 556.47138

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCNCC1)CCCN2C(=O)C3=CC=CC=C3C2=O.C1=CC=C2C(=C1)C(=O)N(C2=O)CCCBr

Isomeric SMILES

C[N+]1(CCNCC1)CCCN2C(=O)C3=CC=CC=C3C2=O.C1=CC=C2C(=C1)C(=O)N(C2=O)CCCBr

InChI

InChI=1S/C16H22N3O2.C11H10BrNO2/c1-19(11-7-17-8-12-19)10-4-9-18-15(20)13-5-2-3-6-14(13)16(18)21;12-6-3-7-13-10(14)8-4-1-2-5-9(8)11(13)15/h2-3,5-6,17H,4,7-12H2,1H3;1-2,4-5H,3,6-7H2/q+1;