1-[[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]methyl]indole-2,3-dione

Systemtic Name: 1-[[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]methyl]indole-2,3-dione Openeye Name: 1-[[4-(m-tolylmethyl)piperazin-4-ium-1-yl]methyl]indoline-2,3-dione CAS Name: 1-[[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]methyl]indole-2,3-dione IUPAC Name: 1-[[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]methyl]indole-2,3-dione Traditional Name: 1-[[4-(3-methylbenzyl)piperazin-4-ium-1-yl]methyl]isatin Formula: C21H24N3O2+ MolecularWeight: 350.43416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)CN3C4=CC=CC=C4C(=O)C3=O

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)CN3C4=CC=CC=C4C(=O)C3=O

InChI

InChI=1S/C21H23N3O2/c1-16-5-4-6-17(13-16)14-22-9-11-23(12-10-22)15-24-19-8-3-2-7-18(19)20(25)21(24)26/h2-8,13H,9-12,14-15H2,1H3/p+1