3-[3-[(8-azanylnaphthalen-1-yl)amino]-3-(furan-2-yl)propanoyl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one

Systemtic Name: 3-[3-[(8-azanylnaphthalen-1-yl)amino]-3-(furan-2-yl)propanoyl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one Openeye Name: 3-[3-[(8-amino-1-naphthyl)amino]-3-(2-furyl)propanoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one CAS Name: 3-[3-[(8-amino-1-naphthalenyl)amino]-3-(2-furanyl)-1-oxopropyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one IUPAC Name: 3-[3-[(8-aminonaphthalen-1-yl)amino]-3-(furan-2-yl)propanoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Traditional Name: 3-[3-[(8-amino-1-naphthyl)amino]-3-(2-furyl)propanoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Formula: C27H24N3O4+ MolecularWeight: 454.49716

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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=C4C(=CC=C5)N)O

Isomeric SMILES

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C(=O)CC(C3=CC=CO3)NC4=CC=CC5=C4C(=CC=C5)N)O

InChI

InChI=1S/C27H23N3O4/c1-30-21-12-3-2-9-17(21)26(32)25(27(30)33)22(31)15-20(23-13-6-14-34-23)29-19-11-5-8-16-7-4-10-18(28)24(16)19/h2-14,20,25,29H,15,28H2,1H3/p+1