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

Systemtic Name: 5-ethyl-1-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]indole-2,3-dione Openeye Name: 5-ethyl-1-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]indoline-2,3-dione CAS Name: 5-ethyl-1-[[4-(4-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]indole-2,3-dione IUPAC Name: 5-ethyl-1-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]indole-2,3-dione Traditional Name: 5-ethyl-1-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]isatin Formula: C20H24N4O2+2 MolecularWeight: 352.43016

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=O)C2=O)C[NH+]3CCN(CC3)C4=CC=[NH+]C=C4

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=O)C2=O)C[NH+]3CCN(CC3)C4=CC=[NH+]C=C4

InChI

InChI=1S/C20H22N4O2/c1-2-15-3-4-18-17(13-15)19(25)20(26)24(18)14-22-9-11-23(12-10-22)16-5-7-21-8-6-16/h3-8,13H,2,9-12,14H2,1H3/p+2