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

Systemtic Name: 1-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-ethyl-indole-2,3-dione Openeye Name: 1-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-ethyl-indoline-2,3-dione CAS Name: 1-[[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-5-ethylindole-2,3-dione IUPAC Name: 1-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-ethylindole-2,3-dione Traditional Name: 1-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-ethyl-isatin Formula: C23H24N3O2S+ MolecularWeight: 406.52056

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=O)C2=O)C[NH+]3CCC(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=O)C2=O)C[NH+]3CCC(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H23N3O2S/c1-2-15-7-8-19-17(13-15)21(27)23(28)26(19)14-25-11-9-16(10-12-25)22-24-18-5-3-4-6-20(18)29-22/h3-8,13,16H,2,9-12,14H2,1H3/p+1