[3-[(4-bromophenyl)carbamoylamino]-2-oxidanyl-chromen-4-ylidene]-cyclohexyl-azanium

Systemtic Name: [3-[(4-bromophenyl)carbamoylamino]-2-oxidanyl-chromen-4-ylidene]-cyclohexyl-azanium Openeye Name: [3-[(4-bromophenyl)carbamoylamino]-2-hydroxy-chromen-4-ylidene]-cyclohexyl-ammonium CAS Name: [3-[[(4-bromoanilino)-oxomethyl]amino]-2-hydroxy-1-benzopyran-4-ylidene]-cyclohexylammonium IUPAC Name: [3-[(4-bromophenyl)carbamoylamino]-2-hydroxychromen-4-ylidene]-cyclohexylazanium Traditional Name: [3-[(4-bromophenyl)carbamoylamino]-2-hydroxy-chromen-4-ylidene]-cyclohexyl-ammonium Formula: C22H23BrN3O3+ MolecularWeight: 457.34032

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]=C2C3=CC=CC=C3OC(=C2NC(=O)NC4=CC=C(C=C4)Br)O

Isomeric SMILES

C1CCC(CC1)[NH+]=C2C3=CC=CC=C3OC(=C2NC(=O)NC4=CC=C(C=C4)Br)O

InChI

InChI=1S/C22H22BrN3O3/c23-14-10-12-16(13-11-14)25-22(28)26-20-19(24-15-6-2-1-3-7-15)17-8-4-5-9-18(17)29-21(20)27/h4-5,8-13,15,27H,1-3,6-7H2,(H2,25,26,28)/p+1