1-butyl-2-oxidanyl-3-[(E)-3-phenylprop-2-enoyl]-3H-quinolin-1-ium-4-one

Systemtic Name: 1-butyl-2-oxidanyl-3-[(E)-3-phenylprop-2-enoyl]-3H-quinolin-1-ium-4-one Openeye Name: 1-butyl-2-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-3H-quinolin-1-ium-4-one CAS Name: 1-butyl-2-hydroxy-3-[(E)-1-oxo-3-phenylprop-2-enyl]-3H-quinolin-1-ium-4-one IUPAC Name: 1-butyl-2-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-3H-quinolin-1-ium-4-one Traditional Name: 1-butyl-2-hydroxy-3-[(E)-3-phenylacryloyl]-3H-quinolin-1-ium-4-one Formula: C22H22NO3+ MolecularWeight: 348.41498

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(C(C(=O)C2=CC=CC=C21)C(=O)C=CC3=CC=CC=C3)O

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO3/c1-2-3-15-23-18-12-8-7-11-17(18)21(25)20(22(23)26)19(24)14-13-16-9-5-4-6-10-16/h4-14,20H,2-3,15H2,1H3/p+1/b14-13+