[(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-methyl-azanium

Systemtic Name: [(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-methyl-azanium Openeye Name: (4-benzyloxy-3-methoxy-phenyl)methyl-[(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylammonium IUPAC Name: [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium Traditional Name: (4-benzoxy-3-methoxy-benzyl)-[(1R)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)[NH+](C)CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

Isomeric SMILES

C[C@H](C(=O)NC1CC1)[NH+](C)CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C22H28N2O3/c1-16(22(25)23-19-10-11-19)24(2)14-18-9-12-20(21(13-18)26-3)27-15-17-7-5-4-6-8-17/h4-9,12-13,16,19H,10-11,14-15H2,1-3H3,(H,23,25)/p+1/t16-/m1/s1