1-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide chloride

Systemtic Name: 1-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide chloride Openeye Name: 1-[2-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]-2-oxo-ethyl]pyridin-1-ium-3-carboxamide chloride CAS Name: 1-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-2-oxoethyl]-3-pyridin-1-iumcarboxamide chloride IUPAC Name: 1-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]pyridin-1-ium-3-carboxamide chloride Traditional Name: 1-[2-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]-2-keto-ethyl]pyridin-1-ium-3-carboxamide chloride Formula: C19H20ClN3O2S MolecularWeight: 389.899

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)C[N+]3=CC=CC(=C3)C(=O)N.[Cl-]

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)C[N+]3=CC=CC(=C3)C(=O)N.[Cl-]

InChI

InChI=1S/C19H19N3O2S.ClH/c1-13-9-17(14(2)22(13)11-16-6-4-8-25-16)18(23)12-21-7-3-5-15(10-21)19(20)24;/h3-10H,11-12H2,1-2H3,(H-,20,24);1H