3-[5-(4-dimethylaminophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one

Systemtic Name: 3-[5-(4-dimethylaminophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one Openeye Name: 3-[5-(4-dimethylaminophenyl)-4,5-dihydroisoxazol-3-yl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one CAS Name: 3-[5-(4-dimethylaminophenyl)-4,5-dihydroisoxazol-3-yl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one IUPAC Name: 3-[5-(4-dimethylaminophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Traditional Name: 3-[5-(4-dimethylaminophenyl)-2-isoxazolin-3-yl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Formula: C21H22N3O3+ MolecularWeight: 364.41768

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C3=NOC(C3)C4=CC=C(C=C4)N(C)C)O

Isomeric SMILES

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C3=NOC(C3)C4=CC=C(C=C4)N(C)C)O

InChI

InChI=1S/C21H21N3O3/c1-23(2)14-10-8-13(9-11-14)18-12-16(22-27-18)19-20(25)15-6-4-5-7-17(15)24(3)21(19)26/h4-11,18-19H,12H2,1-3H3/p+1