3-[3-[(3-aminophenyl)amino]-3-(1,3-benzodioxol-5-yl)propanoyl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one

Systemtic Name: 3-[3-[(3-aminophenyl)amino]-3-(1,3-benzodioxol-5-yl)propanoyl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one Openeye Name: 3-[3-(3-aminoanilino)-3-(1,3-benzodioxol-5-yl)propanoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one CAS Name: 3-[3-(3-aminoanilino)-3-(1,3-benzodioxol-5-yl)-1-oxopropyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one IUPAC Name: 3-[3-(3-aminoanilino)-3-(1,3-benzodioxol-5-yl)propanoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Traditional Name: 3-[3-(3-aminoanilino)-3-(1,3-benzodioxol-5-yl)propanoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Formula: C26H24N3O5+ MolecularWeight: 458.48586

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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=CC4=C(C=C3)OCO4)NC5=CC=CC(=C5)N)O

Isomeric SMILES

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C(=O)CC(C3=CC4=C(C=C3)OCO4)NC5=CC=CC(=C5)N)O

InChI

InChI=1S/C26H23N3O5/c1-29-20-8-3-2-7-18(20)25(31)24(26(29)32)21(30)13-19(28-17-6-4-5-16(27)12-17)15-9-10-22-23(11-15)34-14-33-22/h2-12,19,24,28H,13-14,27H2,1H3/p+1