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

Systemtic Name: 1-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-propan-2-yl-indole-2,3-dione Openeye Name: 1-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-isopropyl-indoline-2,3-dione CAS Name: 1-[[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-5-propan-2-ylindole-2,3-dione IUPAC Name: 1-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-propan-2-ylindole-2,3-dione Traditional Name: 1-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-isopropyl-isatin Formula: C24H26N3O2S+ MolecularWeight: 420.54714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O2S/c1-15(2)17-7-8-20-18(13-17)22(28)24(29)27(20)14-26-11-9-16(10-12-26)23-25-19-5-3-4-6-21(19)30-23/h3-8,13,15-16H,9-12,14H2,1-2H3/p+1