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

Systemtic Name: 5-propan-2-yl-1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]indole-2,3-dione Openeye Name: 5-isopropyl-1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]indoline-2,3-dione CAS Name: 5-propan-2-yl-1-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]indole-2,3-dione IUPAC Name: 5-propan-2-yl-1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]indole-2,3-dione Traditional Name: 5-isopropyl-1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]isatin Formula: C21H26N4O2+2 MolecularWeight: 366.45674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2/c1-15(2)16-6-7-18-17(13-16)20(26)21(27)25(18)14-23-9-11-24(12-10-23)19-5-3-4-8-22-19/h3-8,13,15H,9-12,14H2,1-2H3/p+2