5-methyl-1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]indole-2,3-dione

Systemtic Name: 5-methyl-1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]indole-2,3-dione Openeye Name: 5-methyl-1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]indoline-2,3-dione CAS Name: 5-methyl-1-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]indole-2,3-dione IUPAC Name: 5-methyl-1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]indole-2,3-dione Traditional Name: 5-methyl-1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]isatin Formula: C19H22N4O2+2 MolecularWeight: 338.40358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C2=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C2=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C19H20N4O2/c1-14-5-6-16-15(12-14)18(24)19(25)23(16)13-21-8-10-22(11-9-21)17-4-2-3-7-20-17/h2-7,12H,8-11,13H2,1H3/p+2