methyl-[(2S)-2-oxidanyl-3-phenoxy-propyl]-[(2,3,4-trimethoxyphenyl)methyl]azanium

Systemtic Name: methyl-[(2S)-2-oxidanyl-3-phenoxy-propyl]-[(2,3,4-trimethoxyphenyl)methyl]azanium Openeye Name: [(2S)-2-hydroxy-3-phenoxy-propyl]-methyl-[(2,3,4-trimethoxyphenyl)methyl]ammonium CAS Name: [(2S)-2-hydroxy-3-phenoxypropyl]-methyl-[(2,3,4-trimethoxyphenyl)methyl]ammonium IUPAC Name: [(2S)-2-hydroxy-3-phenoxypropyl]-methyl-[(2,3,4-trimethoxyphenyl)methyl]azanium Traditional Name: [(2S)-2-hydroxy-3-phenoxy-propyl]-methyl-(2,3,4-trimethoxybenzyl)ammonium Formula: C20H28NO5+ MolecularWeight: 362.44002

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C(=C(C=C1)OC)OC)OC)CC(COC2=CC=CC=C2)O

Isomeric SMILES

C[NH+](CC1=C(C(=C(C=C1)OC)OC)OC)C[C@@H](COC2=CC=CC=C2)O

InChI

InChI=1S/C20H27NO5/c1-21(13-16(22)14-26-17-8-6-5-7-9-17)12-15-10-11-18(23-2)20(25-4)19(15)24-3/h5-11,16,22H,12-14H2,1-4H3/p+1/t16-/m0/s1