3-[1-(cyclohexylmethylidene)-5-phenylmethoxy-indol-1-ium-3-yl]pyrrole-2,5-dione

Systemtic Name: 3-[1-(cyclohexylmethylidene)-5-phenylmethoxy-indol-1-ium-3-yl]pyrrole-2,5-dione Openeye Name: 3-[5-benzyloxy-1-(cyclohexylmethylene)indol-1-ium-3-yl]pyrrole-2,5-dione CAS Name: 3-[1-(cyclohexylmethylidene)-5-phenylmethoxy-3-indol-1-iumyl]pyrrole-2,5-dione IUPAC Name: 3-[1-(cyclohexylmethylidene)-5-phenylmethoxyindol-1-ium-3-yl]pyrrole-2,5-dione Traditional Name: 3-[5-benzoxy-1-(cyclohexylmethylene)indol-1-ium-3-yl]-3-pyrroline-2,5-quinone Formula: C26H25N2O3+ MolecularWeight: 413.4883

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C=[N+]2C=C(C3=C2C=CC(=C3)OCC4=CC=CC=C4)C5=CC(=O)NC5=O

Isomeric SMILES

C1CCC(CC1)C=[N+]2C=C(C3=C2C=CC(=C3)OCC4=CC=CC=C4)C5=CC(=O)NC5=O

InChI

InChI=1S/C26H24N2O3/c29-25-14-22(26(30)27-25)23-16-28(15-18-7-3-1-4-8-18)24-12-11-20(13-21(23)24)31-17-19-9-5-2-6-10-19/h2,5-6,9-16,18H,1,3-4,7-8,17H2/p+1