(3-benzamido-2-methoxycarbonyl-thieno[2,3-b]pyridin-6-yl)methyl-ethyl-(2-methylprop-2-enyl)azanium

Systemtic Name: (3-benzamido-2-methoxycarbonyl-thieno[2,3-b]pyridin-6-yl)methyl-ethyl-(2-methylprop-2-enyl)azanium Openeye Name: (3-benzamido-2-methoxycarbonyl-thieno[2,3-b]pyridin-6-yl)methyl-ethyl-(2-methylallyl)ammonium CAS Name: (3-benzamido-2-methoxycarbonyl-6-thieno[2,3-b]pyridinyl)methyl-ethyl-(2-methylprop-2-enyl)ammonium IUPAC Name: (3-benzamido-2-methoxycarbonylthieno[2,3-b]pyridin-6-yl)methyl-ethyl-(2-methylprop-2-enyl)azanium Traditional Name: (3-benzamido-2-carbomethoxy-thieno[2,3-b]pyridin-6-yl)methyl-ethyl-(2-methylallyl)ammonium Formula: C23H26N3O3S+ MolecularWeight: 424.53584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O3S/c1-5-26(13-15(2)3)14-17-11-12-18-19(20(23(28)29-4)30-22(18)24-17)25-21(27)16-9-7-6-8-10-16/h6-12H,2,5,13-14H2,1,3-4H3,(H,25,27)/p+1