[(1S)-2-[(3-methoxy-4-propan-2-yloxy-phenyl)carbonylamino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(3-methoxy-4-propan-2-yloxy-phenyl)carbonylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(4-isopropoxy-3-methoxy-benzoyl)amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(3-methoxy-4-propan-2-yloxyphenyl)-oxomethyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[(4-isopropoxy-3-methoxy-benzoyl)amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C21H29N2O3+ MolecularWeight: 357.46656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(=O)NCC(C2=CC=CC=C2)[NH+](C)C)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C(=O)NC[C@H](C2=CC=CC=C2)[NH+](C)C)OC

InChI

InChI=1S/C21H28N2O3/c1-15(2)26-19-12-11-17(13-20(19)25-5)21(24)22-14-18(23(3)4)16-9-7-6-8-10-16/h6-13,15,18H,14H2,1-5H3,(H,22,24)/p+1/t18-/m1/s1