5-iodanyl-1-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]indole-2,3-dione dihydrochloride

Systemtic Name: 5-iodanyl-1-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]indole-2,3-dione dihydrochloride Openeye Name: 1-[2-(4-benzylpiperazin-1-yl)ethyl]-5-iodo-indoline-2,3-dione dihydrochloride CAS Name: 5-iodo-1-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]indole-2,3-dione dihydrochloride IUPAC Name: 1-[2-(4-benzylpiperazin-1-yl)ethyl]-5-iodoindole-2,3-dione dihydrochloride Traditional Name: 1-[2-(4-benzylpiperazino)ethyl]-5-iodo-isatin dihydrochloride Formula: C21H24Cl2IN3O2 MolecularWeight: 548.24463

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCN2C3=C(C=C(C=C3)I)C(=O)C2=O)CC4=CC=CC=C4.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCN2C3=C(C=C(C=C3)I)C(=O)C2=O)CC4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C21H22IN3O2.2ClH/c22-17-6-7-19-18(14-17)20(26)21(27)25(19)13-12-23-8-10-24(11-9-23)15-16-4-2-1-3-5-16;;/h1-7,14H,8-13,15H2;2*1H