dimethyl-[(1S)-1-phenyl-2-[(3,5,6-trimethyl-1-benzofuran-2-yl)carbonylamino]ethyl]azanium

Systemtic Name: dimethyl-[(1S)-1-phenyl-2-[(3,5,6-trimethyl-1-benzofuran-2-yl)carbonylamino]ethyl]azanium Openeye Name: dimethyl-[(1S)-1-phenyl-2-[(3,5,6-trimethylbenzofuran-2-carbonyl)amino]ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[oxo-(3,5,6-trimethyl-2-benzofuranyl)methyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-1-phenyl-2-[(3,5,6-trimethyl-1-benzofuran-2-carbonyl)amino]ethyl]azanium Traditional Name: dimethyl-[(1S)-1-phenyl-2-[(3,5,6-trimethylbenzofuran-2-carbonyl)amino]ethyl]ammonium Formula: C22H27N2O2+ MolecularWeight: 351.46198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=C(O2)C(=O)NCC(C3=CC=CC=C3)[NH+](C)C)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=C(O2)C(=O)NC[C@H](C3=CC=CC=C3)[NH+](C)C)C)C

InChI

InChI=1S/C22H26N2O2/c1-14-11-18-16(3)21(26-20(18)12-15(14)2)22(25)23-13-19(24(4)5)17-9-7-6-8-10-17/h6-12,19H,13H2,1-5H3,(H,23,25)/p+1/t19-/m1/s1