dimethyl-[(2R)-3-methyl-1-[(3-methylbenzo[g][1]benzofuran-2-yl)carbonylamino]butan-2-yl]azanium

Systemtic Name: dimethyl-[(2R)-3-methyl-1-[(3-methylbenzo[g][1]benzofuran-2-yl)carbonylamino]butan-2-yl]azanium Openeye Name: dimethyl-[(1R)-2-methyl-1-[[(3-methylbenzo[g]benzofuran-2-carbonyl)amino]methyl]propyl]ammonium CAS Name: dimethyl-[(2R)-3-methyl-1-[[(3-methyl-2-benzo[g]benzofuranyl)-oxomethyl]amino]butan-2-yl]ammonium IUPAC Name: dimethyl-[(2R)-3-methyl-1-[(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]butan-2-yl]azanium Traditional Name: dimethyl-[(1R)-2-methyl-1-[[(3-methylbenzo[g]benzofuran-2-carbonyl)amino]methyl]propyl]ammonium Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC3=CC=CC=C32)C(=O)NCC(C(C)C)[NH+](C)C

Isomeric SMILES

CC1=C(OC2=C1C=CC3=CC=CC=C32)C(=O)NC[C@@H](C(C)C)[NH+](C)C

InChI

InChI=1S/C21H26N2O2/c1-13(2)18(23(4)5)12-22-21(24)19-14(3)16-11-10-15-8-6-7-9-17(15)20(16)25-19/h6-11,13,18H,12H2,1-5H3,(H,22,24)/p+1/t18-/m0/s1