1-[4-(dimethylamino)-2-ethoxy-phenyl]-1-(1-ethyl-2-methyl-indol-3-yl)-2,1-benzoxazol-1-ium-3-one

Systemtic Name: 1-[4-(dimethylamino)-2-ethoxy-phenyl]-1-(1-ethyl-2-methyl-indol-3-yl)-2,1-benzoxazol-1-ium-3-one Openeye Name: 1-[4-(dimethylamino)-2-ethoxy-phenyl]-1-(1-ethyl-2-methyl-indol-3-yl)-2,1-benzoxazol-1-ium-3-one CAS Name: 1-[4-(dimethylamino)-2-ethoxyphenyl]-1-(1-ethyl-2-methyl-3-indolyl)-2,1-benzoxazol-1-ium-3-one IUPAC Name: 1-[4-(dimethylamino)-2-ethoxyphenyl]-1-(1-ethyl-2-methylindol-3-yl)-2,1-benzoxazol-1-ium-3-one Traditional Name: 1-[4-(dimethylamino)-2-ethoxy-phenyl]-1-(1-ethyl-2-methyl-indol-3-yl)anthranil-1-ium-3-one Formula: C28H30N3O3+ MolecularWeight: 456.5561

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C2=CC=CC=C21)[N+]3(C4=CC=CC=C4C(=O)O3)C5=C(C=C(C=C5)N(C)C)OCC)C

Isomeric SMILES

CCN1C(=C(C2=CC=CC=C21)[N+]3(C4=CC=CC=C4C(=O)O3)C5=C(C=C(C=C5)N(C)C)OCC)C

InChI

InChI=1S/C28H30N3O3/c1-6-30-19(3)27(21-12-8-10-14-23(21)30)31(24-15-11-9-13-22(24)28(32)34-31)25-17-16-20(29(4)5)18-26(25)33-7-2/h8-18H,6-7H2,1-5H3/q+1