[(2S)-3-[4-(3-methoxy-3-oxidanylidene-propyl)phenoxy]-2-oxidanyl-propyl]-propan-2-yl-azanium

Systemtic Name: [(2S)-3-[4-(3-methoxy-3-oxidanylidene-propyl)phenoxy]-2-oxidanyl-propyl]-propan-2-yl-azanium Openeye Name: [(2S)-2-hydroxy-3-[4-(3-methoxy-3-oxo-propyl)phenoxy]propyl]-isopropyl-ammonium CAS Name: [(2S)-2-hydroxy-3-[4-(3-methoxy-3-oxopropyl)phenoxy]propyl]-propan-2-ylammonium IUPAC Name: [(2S)-2-hydroxy-3-[4-(3-methoxy-3-oxopropyl)phenoxy]propyl]-propan-2-ylazanium Traditional Name: [(2S)-2-hydroxy-3-[4-(3-keto-3-methoxy-propyl)phenoxy]propyl]-isopropyl-ammonium Formula: C16H26NO4+ MolecularWeight: 296.38194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH2+]CC(COC1=CC=C(C=C1)CCC(=O)OC)O

Isomeric SMILES

CC(C)[NH2+]C[C@@H](COC1=CC=C(C=C1)CCC(=O)OC)O

InChI

InChI=1S/C16H25NO4/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3/p+1/t14-/m0/s1