1-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]-5-nitro-indole-2,3-dione

Systemtic Name: 1-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]-5-nitro-indole-2,3-dione Openeye Name: 1-[[4-(m-tolyl)piperazin-1-ium-1-yl]methyl]-5-nitro-indoline-2,3-dione CAS Name: 1-[[4-(3-methylphenyl)-1-piperazin-1-iumyl]methyl]-5-nitroindole-2,3-dione IUPAC Name: 1-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]-5-nitroindole-2,3-dione Traditional Name: 1-[[4-(m-tolyl)piperazin-1-ium-1-yl]methyl]-5-nitro-isatin Formula: C20H21N4O4+ MolecularWeight: 381.40514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CN3C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)C3=O

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CN3C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)C3=O

InChI

InChI=1S/C20H20N4O4/c1-14-3-2-4-15(11-14)22-9-7-21(8-10-22)13-23-18-6-5-16(24(27)28)12-17(18)19(25)20(23)26/h2-6,11-12H,7-10,13H2,1H3/p+1