(3-methoxyphenyl)methyl-[(2S)-2-oxidanyl-3-[4-(3-oxidanylidenebutyl)phenoxy]propyl]azanium

Systemtic Name: (3-methoxyphenyl)methyl-[(2S)-2-oxidanyl-3-[4-(3-oxidanylidenebutyl)phenoxy]propyl]azanium Openeye Name: [(2S)-2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]-[(3-methoxyphenyl)methyl]ammonium CAS Name: [(2S)-2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]-[(3-methoxyphenyl)methyl]ammonium IUPAC Name: [(2S)-2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]-[(3-methoxyphenyl)methyl]azanium Traditional Name: [(2S)-2-hydroxy-3-[4-(3-ketobutyl)phenoxy]propyl]-m-anisyl-ammonium Formula: C21H28NO4+ MolecularWeight: 358.45132

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OCC(C[NH2+]CC2=CC(=CC=C2)OC)O

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OC[C@H](C[NH2+]CC2=CC(=CC=C2)OC)O

InChI

InChI=1S/C21H27NO4/c1-16(23)6-7-17-8-10-20(11-9-17)26-15-19(24)14-22-13-18-4-3-5-21(12-18)25-2/h3-5,8-12,19,22,24H,6-7,13-15H2,1-2H3/p+1/t19-/m0/s1