cyclopentyl-[3-[2-(2-methylphenoxy)ethanoylamino]-2-oxidanyl-chromen-4-ylidene]azanium

Systemtic Name: cyclopentyl-[3-[2-(2-methylphenoxy)ethanoylamino]-2-oxidanyl-chromen-4-ylidene]azanium Openeye Name: cyclopentyl-[2-hydroxy-3-[[2-(2-methylphenoxy)acetyl]amino]chromen-4-ylidene]ammonium CAS Name: cyclopentyl-[2-hydroxy-3-[[2-(2-methylphenoxy)-1-oxoethyl]amino]-1-benzopyran-4-ylidene]ammonium IUPAC Name: cyclopentyl-[2-hydroxy-3-[[2-(2-methylphenoxy)acetyl]amino]chromen-4-ylidene]azanium Traditional Name: cyclopentyl-[2-hydroxy-3-[[2-(2-methylphenoxy)acetyl]amino]chromen-4-ylidene]ammonium Formula: C23H25N2O4+ MolecularWeight: 393.4556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=O)NC2=C(OC3=CC=CC=C3C2=[NH+]C4CCCC4)O

Isomeric SMILES

CC1=CC=CC=C1OCC(=O)NC2=C(OC3=CC=CC=C3C2=[NH+]C4CCCC4)O

InChI

InChI=1S/C23H24N2O4/c1-15-8-2-6-12-18(15)28-14-20(26)25-22-21(24-16-9-3-4-10-16)17-11-5-7-13-19(17)29-23(22)27/h2,5-8,11-13,16,27H,3-4,9-10,14H2,1H3,(H,25,26)/p+1