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

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-methyl-azanium Openeye Name: (4-benzyloxy-3-methoxy-phenyl)methyl-[(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylammonium IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium Traditional Name: (4-benzoxy-3-methoxy-benzyl)-[(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C21H29N2O3+ MolecularWeight: 357.46656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3/c1-5-22-21(24)16(2)23(3)14-18-11-12-19(20(13-18)25-4)26-15-17-9-7-6-8-10-17/h6-13,16H,5,14-15H2,1-4H3,(H,22,24)/p+1/t16-/m0/s1