3,4,6-trimethyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]thieno[2,3-b]pyridine-2-carboxamide

Systemtic Name: 3,4,6-trimethyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]thieno[2,3-b]pyridine-2-carboxamide Openeye Name: 3,4,6-trimethyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide CAS Name: 3,4,6-trimethyl-N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-2-thieno[2,3-b]pyridinecarboxamide IUPAC Name: 3,4,6-trimethyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]thieno[2,3-b]pyridine-2-carboxamide Traditional Name: 3,4,6-trimethyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide Formula: C21H26N3O2S2+ MolecularWeight: 416.58004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=C(S2)C(=O)NCC(C3=CC=CS3)[NH+]4CCOCC4)C)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=C(S2)C(=O)NC[C@@H](C3=CC=CS3)[NH+]4CCOCC4)C)C

InChI

InChI=1S/C21H25N3O2S2/c1-13-11-14(2)23-21-18(13)15(3)19(28-21)20(25)22-12-16(17-5-4-10-27-17)24-6-8-26-9-7-24/h4-5,10-11,16H,6-9,12H2,1-3H3,(H,22,25)/p+1/t16-/m0/s1