(2E)-2-[(1-methylindol-3-yl)methylidene]-7-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-6-oxidanyl-1-benzofuran-3-one

Systemtic Name: (2E)-2-[(1-methylindol-3-yl)methylidene]-7-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-6-oxidanyl-1-benzofuran-3-one Openeye Name: (2E)-6-hydroxy-2-[(1-methylindol-3-yl)methylene]-7-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]benzofuran-3-one CAS Name: (2E)-6-hydroxy-2-[(1-methyl-3-indolyl)methylidene]-7-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]-3-benzofuranone IUPAC Name: (2E)-6-hydroxy-2-[(1-methylindol-3-yl)methylidene]-7-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-1-benzofuran-3-one Traditional Name: (2E)-6-hydroxy-2-[(1-methylindol-3-yl)methylene]-7-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]coumaran-3-one Formula: C25H27N2O3+ MolecularWeight: 403.49348

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=C(C=CC3=C2OC(=CC4=CN(C5=CC=CC=C54)C)C3=O)O

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC2=C(C=CC3=C2O/C(=C/C4=CN(C5=CC=CC=C54)C)/C3=O)O

InChI

InChI=1S/C25H26N2O3/c1-16-7-5-6-12-27(16)15-20-22(28)11-10-19-24(29)23(30-25(19)20)13-17-14-26(2)21-9-4-3-8-18(17)21/h3-4,8-11,13-14,16,28H,5-7,12,15H2,1-2H3/p+1/b23-13+/t16-/m0/s1