[2-methoxycarbonyl-3-(2-phenoxyethanoylamino)thieno[2,3-b]pyridin-6-yl]methyl-methyl-propan-2-yl-azanium

Systemtic Name: [2-methoxycarbonyl-3-(2-phenoxyethanoylamino)thieno[2,3-b]pyridin-6-yl]methyl-methyl-propan-2-yl-azanium Openeye Name: isopropyl-[[2-methoxycarbonyl-3-[(2-phenoxyacetyl)amino]thieno[2,3-b]pyridin-6-yl]methyl]-methyl-ammonium CAS Name: [2-methoxycarbonyl-3-[(1-oxo-2-phenoxyethyl)amino]-6-thieno[2,3-b]pyridinyl]methyl-methyl-propan-2-ylammonium IUPAC Name: [2-methoxycarbonyl-3-[(2-phenoxyacetyl)amino]thieno[2,3-b]pyridin-6-yl]methyl-methyl-propan-2-ylazanium Traditional Name: [2-carbomethoxy-3-[(2-phenoxyacetyl)amino]thieno[2,3-b]pyridin-6-yl]methyl-isopropyl-methyl-ammonium Formula: C22H26N3O4S+ MolecularWeight: 428.52454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](C)CC1=NC2=C(C=C1)C(=C(S2)C(=O)OC)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CC(C)[NH+](C)CC1=NC2=C(C=C1)C(=C(S2)C(=O)OC)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O4S/c1-14(2)25(3)12-15-10-11-17-19(20(22(27)28-4)30-21(17)23-15)24-18(26)13-29-16-8-6-5-7-9-16/h5-11,14H,12-13H2,1-4H3,(H,24,26)/p+1