N-[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]-2-morpholin-4-ium-4-yl-ethanamide

Systemtic Name: N-[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]-2-morpholin-4-ium-4-yl-ethanamide Openeye Name: N-[3-cyano-4,5-dimethyl-1-(2-thienylmethyl)pyrrol-2-yl]-2-morpholin-4-ium-4-yl-acetamide CAS Name: N-[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)-2-pyrrolyl]-2-(4-morpholin-4-iumyl)acetamide IUPAC Name: N-[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]-2-morpholin-4-ium-4-ylacetamide Traditional Name: N-[3-cyano-4,5-dimethyl-1-(2-thenyl)pyrrol-2-yl]-2-morpholin-4-ium-4-yl-acetamide Formula: C18H23N4O2S+ MolecularWeight: 359.46582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCOCC2)CC3=CC=CS3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCOCC2)CC3=CC=CS3)C

InChI

InChI=1S/C18H22N4O2S/c1-13-14(2)22(11-15-4-3-9-25-15)18(16(13)10-19)20-17(23)12-21-5-7-24-8-6-21/h3-4,9H,5-8,11-12H2,1-2H3,(H,20,23)/p+1