[3-[(4-ethoxycarbonylcyclohexyl)methylcarbamoylamino]-2-oxidanyl-chromen-4-ylidene]-methyl-azanium

Systemtic Name: [3-[(4-ethoxycarbonylcyclohexyl)methylcarbamoylamino]-2-oxidanyl-chromen-4-ylidene]-methyl-azanium Openeye Name: [3-[(4-ethoxycarbonylcyclohexyl)methylcarbamoylamino]-2-hydroxy-chromen-4-ylidene]-methyl-ammonium CAS Name: [3-[[[(4-ethoxycarbonylcyclohexyl)methylamino]-oxomethyl]amino]-2-hydroxy-1-benzopyran-4-ylidene]-methylammonium IUPAC Name: [3-[(4-ethoxycarbonylcyclohexyl)methylcarbamoylamino]-2-hydroxychromen-4-ylidene]-methylazanium Traditional Name: [3-[(4-carbethoxycyclohexyl)methylcarbamoylamino]-2-hydroxy-chromen-4-ylidene]-methyl-ammonium Formula: C21H28N3O5+ MolecularWeight: 402.46412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)CNC(=O)NC2=C(OC3=CC=CC=C3C2=[NH+]C)O

Isomeric SMILES

CCOC(=O)C1CCC(CC1)CNC(=O)NC2=C(OC3=CC=CC=C3C2=[NH+]C)O

InChI

InChI=1S/C21H27N3O5/c1-3-28-19(25)14-10-8-13(9-11-14)12-23-21(27)24-18-17(22-2)15-6-4-5-7-16(15)29-20(18)26/h4-7,13-14,26H,3,8-12H2,1-2H3,(H2,23,24,27)/p+1