butyl-[[2-methoxycarbonyl-3-[(1-phenylcyclopropyl)carbonylamino]thieno[2,3-b]pyridin-6-yl]methyl]-methyl-azanium

Systemtic Name: butyl-[[2-methoxycarbonyl-3-[(1-phenylcyclopropyl)carbonylamino]thieno[2,3-b]pyridin-6-yl]methyl]-methyl-azanium Openeye Name: butyl-[[2-methoxycarbonyl-3-[(1-phenylcyclopropanecarbonyl)amino]thieno[2,3-b]pyridin-6-yl]methyl]-methyl-ammonium CAS Name: butyl-[[2-methoxycarbonyl-3-[[oxo-(1-phenylcyclopropyl)methyl]amino]-6-thieno[2,3-b]pyridinyl]methyl]-methylammonium IUPAC Name: butyl-[[2-methoxycarbonyl-3-[(1-phenylcyclopropanecarbonyl)amino]thieno[2,3-b]pyridin-6-yl]methyl]-methylazanium Traditional Name: butyl-[[2-carbomethoxy-3-[(1-phenylcyclopropanecarbonyl)amino]thieno[2,3-b]pyridin-6-yl]methyl]-methyl-ammonium Formula: C25H30N3O3S+ MolecularWeight: 452.589

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CC1=NC2=C(C=C1)C(=C(S2)C(=O)OC)NC(=O)C3(CC3)C4=CC=CC=C4

Isomeric SMILES

CCCC[NH+](C)CC1=NC2=C(C=C1)C(=C(S2)C(=O)OC)NC(=O)C3(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H29N3O3S/c1-4-5-15-28(2)16-18-11-12-19-20(21(23(29)31-3)32-22(19)26-18)27-24(30)25(13-14-25)17-9-7-6-8-10-17/h6-12H,4-5,13-16H2,1-3H3,(H,27,30)/p+1