(E)-3-(5-chloranylthiophen-2-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]prop-2-enamide

Systemtic Name: (E)-3-(5-chloranylthiophen-2-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]prop-2-enamide Openeye Name: (E)-3-(5-chloro-2-thienyl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]prop-2-enamide CAS Name: (E)-3-(5-chloro-2-thiophenyl)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-2-propenamide IUPAC Name: (E)-3-(5-chlorothiophen-2-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]prop-2-enamide Traditional Name: (E)-3-(5-chloro-2-thienyl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]acrylamide Formula: C17H19ClN3O2S+ MolecularWeight: 364.86966

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C=CC3=CC=C(S3)Cl

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)/C=C/C3=CC=C(S3)Cl

InChI

InChI=1S/C17H18ClN3O2S/c18-15-4-2-14(24-15)3-6-17(22)20-12-13-1-5-16(19-11-13)21-7-9-23-10-8-21/h1-6,11H,7-10,12H2,(H,20,22)/p+1/b6-3+