[2-methoxycarbonyl-3-(2-phenoxyethanoylamino)thieno[2,3-b]pyridin-6-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [2-methoxycarbonyl-3-(2-phenoxyethanoylamino)thieno[2,3-b]pyridin-6-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: [2-methoxycarbonyl-3-[(2-phenoxyacetyl)amino]thieno[2,3-b]pyridin-6-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: [2-methoxycarbonyl-3-[(1-oxo-2-phenoxyethyl)amino]-6-thieno[2,3-b]pyridinyl]methyl-methyl-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [2-methoxycarbonyl-3-[(2-phenoxyacetyl)amino]thieno[2,3-b]pyridin-6-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: [2-carbomethoxy-3-[(2-phenoxyacetyl)amino]thieno[2,3-b]pyridin-6-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C25H32N4O4S+2 MolecularWeight: 484.61098

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+](C)CC2=NC3=C(C=C2)C(=C(S3)C(=O)OC)NC(=O)COC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+](C)CC2=NC3=C(C=C2)C(=C(S3)C(=O)OC)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O4S/c1-28-13-11-18(12-14-28)29(2)15-17-9-10-20-22(23(25(31)32-3)34-24(20)26-17)27-21(30)16-33-19-7-5-4-6-8-19/h4-10,18H,11-16H2,1-3H3,(H,27,30)/p+2