2-methylsulfanyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]pyridine-3-carboxamide

Systemtic Name: 2-methylsulfanyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]pyridine-3-carboxamide Openeye Name: 2-methylsulfanyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]pyridine-3-carboxamide CAS Name: 2-(methylthio)-N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-3-pyridinecarboxamide IUPAC Name: 2-methylsulfanyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]pyridine-3-carboxamide Traditional Name: 2-(methylthio)-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]nicotinamide Formula: C17H22N3O2S2+ MolecularWeight: 364.50548

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)NCC(C2=CC=CS2)[NH+]3CCOCC3

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)NC[C@@H](C2=CC=CS2)[NH+]3CCOCC3

InChI

InChI=1S/C17H21N3O2S2/c1-23-17-13(4-2-6-18-17)16(21)19-12-14(15-5-3-11-24-15)20-7-9-22-10-8-20/h2-6,11,14H,7-10,12H2,1H3,(H,19,21)/p+1/t14-/m0/s1