3-[(E)-5-[(8-azanylnaphthalen-1-yl)amino]-5-phenyl-pent-2-enoyl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one

Systemtic Name: 3-[(E)-5-[(8-azanylnaphthalen-1-yl)amino]-5-phenyl-pent-2-enoyl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one Openeye Name: 3-[(E)-5-[(8-amino-1-naphthyl)amino]-5-phenyl-pent-2-enoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one CAS Name: 3-[(E)-5-[(8-amino-1-naphthalenyl)amino]-1-oxo-5-phenylpent-2-enyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one IUPAC Name: 3-[(E)-5-[(8-aminonaphthalen-1-yl)amino]-5-phenylpent-2-enoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Traditional Name: 3-[(E)-5-[(8-amino-1-naphthyl)amino]-5-phenyl-pent-2-enoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Formula: C31H28N3O3+ MolecularWeight: 490.57232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H27N3O3/c1-34-26-18-6-5-14-22(26)30(36)29(31(34)37)27(35)19-9-16-24(20-10-3-2-4-11-20)33-25-17-8-13-21-12-7-15-23(32)28(21)25/h2-15,17-19,24,29,33H,16,32H2,1H3/p+1/b19-9+