2-azanyl-4-(4-chlorophenyl)-3-cyano-6-hexyl-4H-chromen-7-olate; morpholin-4-ium

Systemtic Name: 2-azanyl-4-(4-chlorophenyl)-3-cyano-6-hexyl-4H-chromen-7-olate; morpholin-4-ium Openeye Name: 2-amino-4-(4-chlorophenyl)-3-cyano-6-hexyl-4H-chromen-7-olate; morpholin-4-ium CAS Name: 2-amino-4-(4-chlorophenyl)-3-cyano-6-hexyl-4H-1-benzopyran-7-olate; morpholin-4-ium IUPAC Name: 2-amino-4-(4-chlorophenyl)-3-cyano-6-hexyl-4H-chromen-7-olate; morpholin-4-ium Traditional Name: 2-amino-4-(4-chlorophenyl)-3-cyano-6-hexyl-4H-chromen-7-olate; morpholin-4-ium Formula: C26H32ClN3O3 MolecularWeight: 470.00358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C2C(=C1)C(C(=C(O2)N)C#N)C3=CC=C(C=C3)Cl)[O-].C1COCC[NH2+]1

Isomeric SMILES

CCCCCCC1=C(C=C2C(=C1)C(C(=C(O2)N)C#N)C3=CC=C(C=C3)Cl)[O-].C1COCC[NH2+]1

InChI

InChI=1S/C22H23ClN2O2.C4H9NO/c1-2-3-4-5-6-15-11-17-20(12-19(15)26)27-22(25)18(13-24)21(17)14-7-9-16(23)10-8-14;1-3-6-4-2-5-1/h7-12,21,26H,2-6,25H2,1H3;5H,1-4H2