(3Z)-3-[(4-phenylpiperazin-1-ium-1-yl)methylidene]-2-benzofuran-1-one

Systemtic Name: (3Z)-3-[(4-phenylpiperazin-1-ium-1-yl)methylidene]-2-benzofuran-1-one Openeye Name: (3Z)-3-[(4-phenylpiperazin-1-ium-1-yl)methylene]isobenzofuran-1-one CAS Name: (3Z)-3-[(4-phenyl-1-piperazin-1-iumyl)methylidene]-1-isobenzofuranone IUPAC Name: (3Z)-3-[(4-phenylpiperazin-1-ium-1-yl)methylidene]-2-benzofuran-1-one Traditional Name: (3Z)-3-[(4-phenylpiperazin-1-ium-1-yl)methylene]phthalide Formula: C19H19N2O2+ MolecularWeight: 307.36636

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C=C2C3=CC=CC=C3C(=O)O2)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1/C=C\2/C3=CC=CC=C3C(=O)O2)C4=CC=CC=C4

InChI

InChI=1S/C19H18N2O2/c22-19-17-9-5-4-8-16(17)18(23-19)14-20-10-12-21(13-11-20)15-6-2-1-3-7-15/h1-9,14H,10-13H2/p+1/b18-14-