methyl-[[2-methyl-5-oxidanyl-3-[(phenylmethyl)carbamoyl]-1-benzofuran-4-yl]methyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[[2-methyl-5-oxidanyl-3-[(phenylmethyl)carbamoyl]-1-benzofuran-4-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-[[3-(benzylcarbamoyl)-5-hydroxy-2-methyl-benzofuran-4-yl]methyl]-methyl-ammonium CAS Name: [5-hydroxy-2-methyl-3-[oxo-[(phenylmethyl)amino]methyl]-4-benzofuranyl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[3-(benzylcarbamoyl)-5-hydroxy-2-methyl-1-benzofuran-4-yl]methyl]-methylazanium Traditional Name: benzyl-[[3-(benzylcarbamoyl)-5-hydroxy-2-methyl-benzofuran-4-yl]methyl]-methyl-ammonium Formula: C26H27N2O3+ MolecularWeight: 415.50418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=CC(=C2C[NH+](C)CC3=CC=CC=C3)O)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2C[NH+](C)CC3=CC=CC=C3)O)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C26H26N2O3/c1-18-24(26(30)27-15-19-9-5-3-6-10-19)25-21(22(29)13-14-23(25)31-18)17-28(2)16-20-11-7-4-8-12-20/h3-14,29H,15-17H2,1-2H3,(H,27,30)/p+1