[4-[(2S)-1-ethoxy-1-oxidanylidene-propan-2-yl]oxy-3-methoxy-phenyl]methyl-[(1S)-1-phenylethyl]azanium

Systemtic Name: [4-[(2S)-1-ethoxy-1-oxidanylidene-propan-2-yl]oxy-3-methoxy-phenyl]methyl-[(1S)-1-phenylethyl]azanium Openeye Name: [4-[(1S)-2-ethoxy-1-methyl-2-oxo-ethoxy]-3-methoxy-phenyl]methyl-[(1S)-1-phenylethyl]ammonium CAS Name: [4-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxy-3-methoxyphenyl]methyl-[(1S)-1-phenylethyl]ammonium IUPAC Name: [4-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxy-3-methoxyphenyl]methyl-[(1S)-1-phenylethyl]azanium Traditional Name: [4-[(1S)-2-ethoxy-2-keto-1-methyl-ethoxy]-3-methoxy-benzyl]-[(1S)-1-phenylethyl]ammonium Formula: C21H28NO4+ MolecularWeight: 358.45132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)OC1=C(C=C(C=C1)C[NH2+]C(C)C2=CC=CC=C2)OC

Isomeric SMILES

CCOC(=O)[C@H](C)OC1=C(C=C(C=C1)C[NH2+][C@@H](C)C2=CC=CC=C2)OC

InChI

InChI=1S/C21H27NO4/c1-5-25-21(23)16(3)26-19-12-11-17(13-20(19)24-4)14-22-15(2)18-9-7-6-8-10-18/h6-13,15-16,22H,5,14H2,1-4H3/p+1/t15-,16-/m0/s1