2-[(E)-(5-carboxy-1,3,3-trimethyl-indol-2-ylidene)methyl]-1,3,3-trimethyl-indol-1-ium-5-carboxylate

Systemtic Name: 2-[(E)-(5-carboxy-1,3,3-trimethyl-indol-2-ylidene)methyl]-1,3,3-trimethyl-indol-1-ium-5-carboxylate Openeye Name: 2-[(E)-(5-carboxy-1,3,3-trimethyl-indolin-2-ylidene)methyl]-1,3,3-trimethyl-indol-1-ium-5-carboxylate CAS Name: 2-[(E)-(5-carboxy-1,3,3-trimethyl-2-indolylidene)methyl]-1,3,3-trimethyl-5-indol-1-iumcarboxylate IUPAC Name: 2-[(E)-(5-carboxy-1,3,3-trimethylindol-2-ylidene)methyl]-1,3,3-trimethylindol-1-ium-5-carboxylate Traditional Name: 2-[(E)-(5-carboxy-1,3,3-trimethyl-indolin-2-ylidene)methyl]-1,3,3-trimethyl-indol-1-ium-5-carboxylate Formula: C25H26N2O4 MolecularWeight: 418.48494

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C(=O)O)N(C1=CC3=[N+](C4=C(C3(C)C)C=C(C=C4)C(=O)[O-])C)C)C

Isomeric SMILES

CC\1(C2=C(C=CC(=C2)C(=O)O)N(/C1=C/C3=[N+](C4=C(C3(C)C)C=C(C=C4)C(=O)[O-])C)C)C

InChI

InChI=1S/C25H26N2O4/c1-24(2)16-11-14(22(28)29)7-9-18(16)26(5)20(24)13-21-25(3,4)17-12-15(23(30)31)8-10-19(17)27(21)6/h7-13H,1-6H3,(H-,28,29,30,31)