5-(diethylamino)-1,1-bis(4-dimethylaminophenyl)-2,1-benzoxazol-1-ium-3-one

Systemtic Name: 5-(diethylamino)-1,1-bis(4-dimethylaminophenyl)-2,1-benzoxazol-1-ium-3-one Openeye Name: 5-(diethylamino)-1,1-bis(4-dimethylaminophenyl)-2,1-benzoxazol-1-ium-3-one CAS Name: 5-(diethylamino)-1,1-bis(4-dimethylaminophenyl)-2,1-benzoxazol-1-ium-3-one IUPAC Name: 5-(diethylamino)-1,1-bis(4-dimethylaminophenyl)-2,1-benzoxazol-1-ium-3-one Traditional Name: 5-(diethylamino)-1,1-bis(4-dimethylaminophenyl)anthranil-1-ium-3-one Formula: C27H33N4O2+ MolecularWeight: 445.57652

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)[N+](OC2=O)(C3=CC=C(C=C3)N(C)C)C4=CC=C(C=C4)N(C)C

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)[N+](OC2=O)(C3=CC=C(C=C3)N(C)C)C4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C27H33N4O2/c1-7-30(8-2)22-13-18-26-25(19-22)27(32)33-31(26,23-14-9-20(10-15-23)28(3)4)24-16-11-21(12-17-24)29(5)6/h9-19H,7-8H2,1-6H3/q+1