N-[3-(1H-imidazol-3-ium-3-yl)propyl]-9H-xanthene-9-carboxamide chloride

Systemtic Name: N-[3-(1H-imidazol-3-ium-3-yl)propyl]-9H-xanthene-9-carboxamide chloride Openeye Name: N-[3-(1H-imidazol-3-ium-3-yl)propyl]-9H-xanthene-9-carboxamide chloride CAS Name: N-[3-(1H-imidazol-3-ium-3-yl)propyl]-9H-xanthene-9-carboxamide chloride IUPAC Name: N-[3-(1H-imidazol-3-ium-3-yl)propyl]-9H-xanthene-9-carboxamide chloride Traditional Name: N-[3-(1H-imidazol-3-ium-3-yl)propyl]-9H-xanthene-9-carboxamide chloride Formula: C20H20ClN3O2 MolecularWeight: 369.8447

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)NCCC[N+]4=CNC=C4.[Cl-]

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)NCCC[N+]4=CNC=C4.[Cl-]

InChI

InChI=1S/C20H19N3O2.ClH/c24-20(22-10-5-12-23-13-11-21-14-23)19-15-6-1-3-8-17(15)25-18-9-4-2-7-16(18)19;/h1-4,6-9,11,13-14,19H,5,10,12H2,(H,22,24);1H