(3-aminocarbonyl-6-hexyl-7-oxidanyl-chromen-2-ylidene)-(4-bromophenyl)azanium

Systemtic Name: (3-aminocarbonyl-6-hexyl-7-oxidanyl-chromen-2-ylidene)-(4-bromophenyl)azanium Openeye Name: (4-bromophenyl)-(3-carbamoyl-6-hexyl-7-hydroxy-chromen-2-ylidene)ammonium CAS Name: (4-bromophenyl)-(3-carbamoyl-6-hexyl-7-hydroxy-1-benzopyran-2-ylidene)ammonium IUPAC Name: (4-bromophenyl)-(3-carbamoyl-6-hexyl-7-hydroxychromen-2-ylidene)azanium Traditional Name: (4-bromophenyl)-(3-carbamoyl-6-hexyl-7-hydroxy-chromen-2-ylidene)ammonium Formula: C22H24BrN2O3+ MolecularWeight: 444.34156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C2C(=C1)C=C(C(=[NH+]C3=CC=C(C=C3)Br)O2)C(=O)N)O

Isomeric SMILES

CCCCCCC1=C(C=C2C(=C1)C=C(C(=[NH+]C3=CC=C(C=C3)Br)O2)C(=O)N)O

InChI

InChI=1S/C22H23BrN2O3/c1-2-3-4-5-6-14-11-15-12-18(21(24)27)22(28-20(15)13-19(14)26)25-17-9-7-16(23)8-10-17/h7-13,26H,2-6H2,1H3,(H2,24,27)/p+1