[3-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxidanyl-chromen-4-ylidene]-cyclopentyl-azanium

Systemtic Name: [3-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxidanyl-chromen-4-ylidene]-cyclopentyl-azanium Openeye Name: [3-(1,3-benzodioxol-5-ylcarbamoylamino)-2-hydroxy-chromen-4-ylidene]-cyclopentyl-ammonium CAS Name: [3-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-hydroxy-1-benzopyran-4-ylidene]-cyclopentylammonium IUPAC Name: [3-(1,3-benzodioxol-5-ylcarbamoylamino)-2-hydroxychromen-4-ylidene]-cyclopentylazanium Traditional Name: [3-(1,3-benzodioxol-5-ylcarbamoylamino)-2-hydroxy-chromen-4-ylidene]-cyclopentyl-ammonium Formula: C22H22N3O5+ MolecularWeight: 408.42718

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]=C2C3=CC=CC=C3OC(=C2NC(=O)NC4=CC5=C(C=C4)OCO5)O

Isomeric SMILES

C1CCC(C1)[NH+]=C2C3=CC=CC=C3OC(=C2NC(=O)NC4=CC5=C(C=C4)OCO5)O

InChI

InChI=1S/C22H21N3O5/c26-21-20(25-22(27)24-14-9-10-17-18(11-14)29-12-28-17)19(23-13-5-1-2-6-13)15-7-3-4-8-16(15)30-21/h3-4,7-11,13,26H,1-2,5-6,12H2,(H2,24,25,27)/p+1