3-[3-(furan-2-yl)-3-(naphthalen-1-ylamino)propanoyl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one

Systemtic Name: 3-[3-(furan-2-yl)-3-(naphthalen-1-ylamino)propanoyl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one Openeye Name: 3-[3-(2-furyl)-3-(1-naphthylamino)propanoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one CAS Name: 3-[3-(2-furanyl)-3-(1-naphthalenylamino)-1-oxopropyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one IUPAC Name: 3-[3-(furan-2-yl)-3-(naphthalen-1-ylamino)propanoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Traditional Name: 3-[3-(2-furyl)-3-(1-naphthylamino)propanoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Formula: C27H23N2O4+ MolecularWeight: 439.48252

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C(=O)CC(C3=CC=CO3)NC4=CC=CC5=CC=CC=C54)O

Isomeric SMILES

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C(=O)CC(C3=CC=CO3)NC4=CC=CC5=CC=CC=C54)O

InChI

InChI=1S/C27H22N2O4/c1-29-22-13-5-4-11-19(22)26(31)25(27(29)32)23(30)16-21(24-14-7-15-33-24)28-20-12-6-9-17-8-2-3-10-18(17)20/h2-15,21,25,28H,16H2,1H3/p+1