5-chloranyl-1-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]indole-2,3-dione

Systemtic Name: 5-chloranyl-1-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]indole-2,3-dione Openeye Name: 5-chloro-1-[[4-(o-tolylmethyl)piperazine-1,4-diium-1-yl]methyl]indoline-2,3-dione CAS Name: 5-chloro-1-[[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]indole-2,3-dione IUPAC Name: 5-chloro-1-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]indole-2,3-dione Traditional Name: 5-chloro-1-[[4-(2-methylbenzyl)piperazine-1,4-diium-1-yl]methyl]isatin Formula: C21H24ClN3O2+2 MolecularWeight: 385.88716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CN3C4=C(C=C(C=C4)Cl)C(=O)C3=O

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CN3C4=C(C=C(C=C4)Cl)C(=O)C3=O

InChI

InChI=1S/C21H22ClN3O2/c1-15-4-2-3-5-16(15)13-23-8-10-24(11-9-23)14-25-19-7-6-17(22)12-18(19)20(26)21(25)27/h2-7,12H,8-11,13-14H2,1H3/p+2