(5-ethanoyl-4-methoxy-6-oxidanyl-1-benzofuran-7-yl)methyl-(phenylmethyl)azanium

Systemtic Name: (5-ethanoyl-4-methoxy-6-oxidanyl-1-benzofuran-7-yl)methyl-(phenylmethyl)azanium Openeye Name: (5-acetyl-6-hydroxy-4-methoxy-benzofuran-7-yl)methyl-benzyl-ammonium CAS Name: (5-acetyl-6-hydroxy-4-methoxy-7-benzofuranyl)methyl-(phenylmethyl)ammonium IUPAC Name: (5-acetyl-6-hydroxy-4-methoxy-1-benzofuran-7-yl)methyl-benzylazanium Traditional Name: (5-acetyl-6-hydroxy-4-methoxy-benzofuran-7-yl)methyl-benzyl-ammonium Formula: C19H20NO4+ MolecularWeight: 326.3664

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C2=C(C(=C1O)C[NH2+]CC3=CC=CC=C3)OC=C2)OC

Isomeric SMILES

CC(=O)C1=C(C2=C(C(=C1O)C[NH2+]CC3=CC=CC=C3)OC=C2)OC

InChI

InChI=1S/C19H19NO4/c1-12(21)16-17(22)15(11-20-10-13-6-4-3-5-7-13)18-14(8-9-24-18)19(16)23-2/h3-9,20,22H,10-11H2,1-2H3/p+1