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

Systemtic Name: 1-[[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-methyl-indole-2,3-dione Openeye Name: 1-[[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-methyl-indoline-2,3-dione CAS Name: 1-[[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-5-methylindole-2,3-dione IUPAC Name: 1-[[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-methylindole-2,3-dione Traditional Name: 1-[[4-(2-methoxy-5-methyl-benzyl)piperazine-1,4-diium-1-yl]methyl]-5-methyl-isatin Formula: C23H29N3O3+2 MolecularWeight: 395.49466

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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(=O)C3=O

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O3/c1-16-5-7-21(29-3)18(12-16)14-24-8-10-25(11-9-24)15-26-20-6-4-17(2)13-19(20)22(27)23(26)28/h4-7,12-13H,8-11,14-15H2,1-3H3/p+2