3-(diethylamino)-3,7-bis(1-ethyl-2-methyl-indol-1-ium-1-yl)-6-phenyl-2-benzofuran-1-one

Systemtic Name: 3-(diethylamino)-3,7-bis(1-ethyl-2-methyl-indol-1-ium-1-yl)-6-phenyl-2-benzofuran-1-one Openeye Name: 3-(diethylamino)-3,7-bis(1-ethyl-2-methyl-indol-1-ium-1-yl)-6-phenyl-isobenzofuran-1-one CAS Name: 3-(diethylamino)-3,7-bis(1-ethyl-2-methyl-1-indol-1-iumyl)-6-phenyl-1-isobenzofuranone IUPAC Name: 3-(diethylamino)-3,7-bis(1-ethyl-2-methylindol-1-ium-1-yl)-6-phenyl-2-benzofuran-1-one Traditional Name: 3-(diethylamino)-3,7-bis(1-ethyl-2-methyl-indol-1-ium-1-yl)-6-phenyl-phthalide Formula: C40H43N3O2+2 MolecularWeight: 597.78832

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1(C2=C(C(=C(C=C2)C3=CC=CC=C3)[N+]4(C(=CC5=CC=CC=C54)C)CC)C(=O)O1)[N+]6(C(=CC7=CC=CC=C76)C)CC

Isomeric SMILES

CCN(CC)C1(C2=C(C(=C(C=C2)C3=CC=CC=C3)[N+]4(C(=CC5=CC=CC=C54)C)CC)C(=O)O1)[N+]6(C(=CC7=CC=CC=C76)C)CC

InChI

InChI=1S/C40H43N3O2/c1-7-41(8-2)40(43(10-4)29(6)27-32-21-15-17-23-36(32)43)34-25-24-33(30-18-12-11-13-19-30)38(37(34)39(44)45-40)42(9-3)28(5)26-31-20-14-16-22-35(31)42/h11-27H,7-10H2,1-6H3/q+2