dimethyl-[(1S)-1-phenyl-2-[(3,4,6-trimethyl-1-benzofuran-2-yl)carbonylamino]ethyl]azanium

Systemtic Name: dimethyl-[(1S)-1-phenyl-2-[(3,4,6-trimethyl-1-benzofuran-2-yl)carbonylamino]ethyl]azanium Openeye Name: dimethyl-[(1S)-1-phenyl-2-[(3,4,6-trimethylbenzofuran-2-carbonyl)amino]ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[oxo-(3,4,6-trimethyl-2-benzofuranyl)methyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-1-phenyl-2-[(3,4,6-trimethyl-1-benzofuran-2-carbonyl)amino]ethyl]azanium Traditional Name: dimethyl-[(1S)-1-phenyl-2-[(3,4,6-trimethylbenzofuran-2-carbonyl)amino]ethyl]ammonium Formula: C22H27N2O2+ MolecularWeight: 351.46198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C(OC2=C1)C(=O)NCC(C3=CC=CC=C3)[NH+](C)C)C)C

Isomeric SMILES

CC1=CC(=C2C(=C(OC2=C1)C(=O)NC[C@H](C3=CC=CC=C3)[NH+](C)C)C)C

InChI

InChI=1S/C22H26N2O2/c1-14-11-15(2)20-16(3)21(26-19(20)12-14)22(25)23-13-18(24(4)5)17-9-7-6-8-10-17/h6-12,18H,13H2,1-5H3,(H,23,25)/p+1/t18-/m1/s1