1-methyl-2-oxidanyl-3-[(E)-3-thiophen-2-ylprop-2-enoyl]-3H-quinolin-1-ium-4-one

Systemtic Name: 1-methyl-2-oxidanyl-3-[(E)-3-thiophen-2-ylprop-2-enoyl]-3H-quinolin-1-ium-4-one Openeye Name: 2-hydroxy-1-methyl-3-[(E)-3-(2-thienyl)prop-2-enoyl]-3H-quinolin-1-ium-4-one CAS Name: 2-hydroxy-1-methyl-3-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]-3H-quinolin-1-ium-4-one IUPAC Name: 2-hydroxy-1-methyl-3-[(E)-3-thiophen-2-ylprop-2-enoyl]-3H-quinolin-1-ium-4-one Traditional Name: 2-hydroxy-1-methyl-3-[(E)-3-(2-thienyl)acryloyl]-3H-quinolin-1-ium-4-one Formula: C17H14NO3S+ MolecularWeight: 312.36296

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C(=O)C=CC3=CC=CS3)O

Isomeric SMILES

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C(=O)/C=C/C3=CC=CS3)O

InChI

InChI=1S/C17H13NO3S/c1-18-13-7-3-2-6-12(13)16(20)15(17(18)21)14(19)9-8-11-5-4-10-22-11/h2-10,15H,1H3/p+1/b9-8+