(2Z)-2-(1H-indol-3-ylmethylidene)-6-oxidanyl-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-one

Systemtic Name: (2Z)-2-(1H-indol-3-ylmethylidene)-6-oxidanyl-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Openeye Name: (2Z)-6-hydroxy-2-(1H-indol-3-ylmethylene)-7-(piperidin-1-ium-1-ylmethyl)benzofuran-3-one CAS Name: (2Z)-6-hydroxy-2-(1H-indol-3-ylmethylidene)-7-(1-piperidin-1-iumylmethyl)-3-benzofuranone IUPAC Name: (2Z)-6-hydroxy-2-(1H-indol-3-ylmethylidene)-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Traditional Name: (2Z)-6-hydroxy-2-(1H-indol-3-ylmethylene)-7-(piperidin-1-ium-1-ylmethyl)coumaran-3-one Formula: C23H23N2O3+ MolecularWeight: 375.44032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=CNC5=CC=CC=C54)C3=O)O

Isomeric SMILES

C1CC[NH+](CC1)CC2=C(C=CC3=C2O/C(=C\C4=CNC5=CC=CC=C54)/C3=O)O

InChI

InChI=1S/C23H22N2O3/c26-20-9-8-17-22(27)21(12-15-13-24-19-7-3-2-6-16(15)19)28-23(17)18(20)14-25-10-4-1-5-11-25/h2-3,6-9,12-13,24,26H,1,4-5,10-11,14H2/p+1/b21-12-