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

Systemtic Name: 1-methyl-3-[3-(naphthalen-2-ylamino)-3-thiophen-2-yl-propanoyl]-2-oxidanyl-3H-quinolin-1-ium-4-one Openeye Name: 2-hydroxy-1-methyl-3-[3-(2-naphthylamino)-3-(2-thienyl)propanoyl]-3H-quinolin-1-ium-4-one CAS Name: 2-hydroxy-1-methyl-3-[3-(2-naphthalenylamino)-1-oxo-3-thiophen-2-ylpropyl]-3H-quinolin-1-ium-4-one IUPAC Name: 2-hydroxy-1-methyl-3-[3-(naphthalen-2-ylamino)-3-thiophen-2-ylpropanoyl]-3H-quinolin-1-ium-4-one Traditional Name: 2-hydroxy-1-methyl-3-[3-(2-naphthylamino)-3-(2-thienyl)propanoyl]-3H-quinolin-1-ium-4-one Formula: C27H23N2O3S+ MolecularWeight: 455.54812

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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=CS3)NC4=CC5=CC=CC=C5C=C4)O

Isomeric SMILES

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C(=O)CC(C3=CC=CS3)NC4=CC5=CC=CC=C5C=C4)O

InChI

InChI=1S/C27H22N2O3S/c1-29-22-10-5-4-9-20(22)26(31)25(27(29)32)23(30)16-21(24-11-6-14-33-24)28-19-13-12-17-7-2-3-8-18(17)15-19/h2-15,21,25,28H,16H2,1H3/p+1