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

Systemtic Name: [(2R)-1-(methoxycarbonylamino)-1-oxidanylidene-propan-2-yl]-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-methyl-azanium Openeye Name: (4-benzyloxy-3-methoxy-phenyl)methyl-[(1R)-2-(methoxycarbonylamino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: [(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylammonium IUPAC Name: [(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium Traditional Name: (4-benzoxy-3-methoxy-benzyl)-[(1R)-2-(carbomethoxyamino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C21H27N2O5+ MolecularWeight: 387.44948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)OC)[NH+](C)CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC

Isomeric SMILES

C[C@H](C(=O)NC(=O)OC)[NH+](C)CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC

InChI

InChI=1S/C21H26N2O5/c1-15(20(24)22-21(25)27-4)23(2)13-17-10-11-18(19(12-17)26-3)28-14-16-8-6-5-7-9-16/h5-12,15H,13-14H2,1-4H3,(H,22,24,25)/p+1/t15-/m1/s1