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

Systemtic Name: 3-[3-[(8-azanylnaphthalen-1-yl)amino]-3-(2-hydroxyphenyl)propanoyl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one Openeye Name: 3-[3-[(8-amino-1-naphthyl)amino]-3-(2-hydroxyphenyl)propanoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one CAS Name: 3-[3-[(8-amino-1-naphthalenyl)amino]-3-(2-hydroxyphenyl)-1-oxopropyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one IUPAC Name: 3-[3-[(8-aminonaphthalen-1-yl)amino]-3-(2-hydroxyphenyl)propanoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Traditional Name: 3-[3-[(8-amino-1-naphthyl)amino]-3-(2-hydroxyphenyl)propanoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Formula: C29H26N3O4+ MolecularWeight: 480.53444

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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=CC=C3O)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=CC=C3O)NC4=CC=CC5=C4C(=CC=C5)N)O

InChI

InChI=1S/C29H25N3O4/c1-32-23-14-4-2-11-19(23)28(35)27(29(32)36)25(34)16-22(18-10-3-5-15-24(18)33)31-21-13-7-9-17-8-6-12-20(30)26(17)21/h2-15,22,27,31,33H,16,30H2,1H3/p+1