methyl 3-(cyclohexylcarbonylamino)-6-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-(cyclohexylcarbonylamino)-6-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]thieno[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 6-[(4-acetylpiperazin-1-ium-1-yl)methyl]-3-(cyclohexanecarbonylamino)thieno[2,3-b]pyridine-2-carboxylate CAS Name: 6-[(4-acetyl-1-piperazin-1-iumyl)methyl]-3-[[cyclohexyl(oxo)methyl]amino]-2-thieno[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[(4-acetylpiperazin-1-ium-1-yl)methyl]-3-(cyclohexanecarbonylamino)thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 6-[(4-acetylpiperazin-1-ium-1-yl)methyl]-3-(cyclohexanecarbonylamino)thieno[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C23H31N4O4S+ MolecularWeight: 459.58164

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC2=NC3=C(C=C2)C(=C(S3)C(=O)OC)NC(=O)C4CCCCC4

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC2=NC3=C(C=C2)C(=C(S3)C(=O)OC)NC(=O)C4CCCCC4

InChI

InChI=1S/C23H30N4O4S/c1-15(28)27-12-10-26(11-13-27)14-17-8-9-18-19(20(23(30)31-2)32-22(18)24-17)25-21(29)16-6-4-3-5-7-16/h8-9,16H,3-7,10-14H2,1-2H3,(H,25,29)/p+1