[3-methoxy-4-[(2S)-2-oxidanyl-2-phenyl-ethoxy]phenyl]methyl-phenethyl-azanium

Systemtic Name: [3-methoxy-4-[(2S)-2-oxidanyl-2-phenyl-ethoxy]phenyl]methyl-phenethyl-azanium Openeye Name: [4-[(2S)-2-hydroxy-2-phenyl-ethoxy]-3-methoxy-phenyl]methyl-phenethyl-ammonium CAS Name: [4-[(2S)-2-hydroxy-2-phenylethoxy]-3-methoxyphenyl]methyl-phenethylammonium IUPAC Name: [4-[(2S)-2-hydroxy-2-phenylethoxy]-3-methoxyphenyl]methyl-phenethylazanium Traditional Name: [4-[(2S)-2-hydroxy-2-phenyl-ethoxy]-3-methoxy-benzyl]-phenethyl-ammonium Formula: C24H28NO3+ MolecularWeight: 378.48402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CCC2=CC=CC=C2)OCC(C3=CC=CC=C3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CCC2=CC=CC=C2)OC[C@H](C3=CC=CC=C3)O

InChI

InChI=1S/C24H27NO3/c1-27-24-16-20(17-25-15-14-19-8-4-2-5-9-19)12-13-23(24)28-18-22(26)21-10-6-3-7-11-21/h2-13,16,22,25-26H,14-15,17-18H2,1H3/p+1/t22-/m1/s1