1-[[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-propan-2-yl-indole-2,3-dione

Systemtic Name: 1-[[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-propan-2-yl-indole-2,3-dione Openeye Name: 5-isopropyl-1-[[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]indoline-2,3-dione CAS Name: 1-[[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-5-propan-2-ylindole-2,3-dione IUPAC Name: 1-[[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-propan-2-ylindole-2,3-dione Traditional Name: 5-isopropyl-1-[[4-(2-methoxy-5-methyl-benzyl)piperazine-1,4-diium-1-yl]methyl]isatin Formula: C25H33N3O3+2 MolecularWeight: 423.54782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CC[NH+](CC2)CN3C4=C(C=C(C=C4)C(C)C)C(=O)C3=O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CC[NH+](CC2)CN3C4=C(C=C(C=C4)C(C)C)C(=O)C3=O

InChI

InChI=1S/C25H31N3O3/c1-17(2)19-6-7-22-21(14-19)24(29)25(30)28(22)16-27-11-9-26(10-12-27)15-20-13-18(3)5-8-23(20)31-4/h5-8,13-14,17H,9-12,15-16H2,1-4H3/p+2