2-(4-methylphenoxy)ethyl-[(2R)-2-oxidanyl-3-[4-(3-oxidanylidenebutyl)phenoxy]propyl]azanium

Systemtic Name: 2-(4-methylphenoxy)ethyl-[(2R)-2-oxidanyl-3-[4-(3-oxidanylidenebutyl)phenoxy]propyl]azanium Openeye Name: [(2R)-2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]-[2-(4-methylphenoxy)ethyl]ammonium CAS Name: [(2R)-2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]-[2-(4-methylphenoxy)ethyl]ammonium IUPAC Name: [(2R)-2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]-[2-(4-methylphenoxy)ethyl]azanium Traditional Name: [(2R)-2-hydroxy-3-[4-(3-ketobutyl)phenoxy]propyl]-[2-(4-methylphenoxy)ethyl]ammonium Formula: C22H30NO4+ MolecularWeight: 372.4779

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC[NH2+]CC(COC2=CC=C(C=C2)CCC(=O)C)O

Isomeric SMILES

CC1=CC=C(C=C1)OCC[NH2+]C[C@H](COC2=CC=C(C=C2)CCC(=O)C)O

InChI

InChI=1S/C22H29NO4/c1-17-3-9-21(10-4-17)26-14-13-23-15-20(25)16-27-22-11-7-19(8-12-22)6-5-18(2)24/h3-4,7-12,20,23,25H,5-6,13-16H2,1-2H3/p+1/t20-/m1/s1