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

Systemtic Name: 1-[[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methyl]indole-2,3-dione Openeye Name: 1-[[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methyl]indoline-2,3-dione CAS Name: 1-[[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methyl]indole-2,3-dione IUPAC Name: 1-[[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methyl]indole-2,3-dione Traditional Name: 1-[[4-(3-thenyl)piperazin-4-ium-1-yl]methyl]isatin Formula: C18H20N3O2S+ MolecularWeight: 342.4353

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)CN3C4=CC=CC=C4C(=O)C3=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)CN3C4=CC=CC=C4C(=O)C3=O

InChI

InChI=1S/C18H19N3O2S/c22-17-15-3-1-2-4-16(15)21(18(17)23)13-20-8-6-19(7-9-20)11-14-5-10-24-12-14/h1-5,10,12H,6-9,11,13H2/p+1