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

Systemtic Name: 1-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-methyl-indole-2,3-dione Openeye Name: 1-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-methyl-indoline-2,3-dione CAS Name: 1-[[4-[(4-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-5-methylindole-2,3-dione IUPAC Name: 1-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-methylindole-2,3-dione Traditional Name: 5-methyl-1-[(4-p-anisylpiperazine-1,4-diium-1-yl)methyl]isatin Formula: C22H27N3O3+2 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C2=O)C[NH+]3CC[NH+](CC3)CC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C2=O)C[NH+]3CC[NH+](CC3)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C22H25N3O3/c1-16-3-8-20-19(13-16)21(26)22(27)25(20)15-24-11-9-23(10-12-24)14-17-4-6-18(28-2)7-5-17/h3-8,13H,9-12,14-15H2,1-2H3/p+2