(3-azanyl-3-oxidanylidene-propyl)-[(2R)-3-(3-methylphenoxy)-2-oxidanyl-propyl]-(phenylmethyl)azanium

Systemtic Name: (3-azanyl-3-oxidanylidene-propyl)-[(2R)-3-(3-methylphenoxy)-2-oxidanyl-propyl]-(phenylmethyl)azanium Openeye Name: (3-amino-3-oxo-propyl)-benzyl-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]ammonium CAS Name: (3-amino-3-oxopropyl)-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-(phenylmethyl)ammonium IUPAC Name: (3-amino-3-oxopropyl)-benzyl-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]azanium Traditional Name: (3-amino-3-keto-propyl)-benzyl-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]ammonium Formula: C20H27N2O3+ MolecularWeight: 343.43998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(C[NH+](CCC(=O)N)CC2=CC=CC=C2)O

Isomeric SMILES

CC1=CC(=CC=C1)OC[C@@H](C[NH+](CCC(=O)N)CC2=CC=CC=C2)O

InChI

InChI=1S/C20H26N2O3/c1-16-6-5-9-19(12-16)25-15-18(23)14-22(11-10-20(21)24)13-17-7-3-2-4-8-17/h2-9,12,18,23H,10-11,13-15H2,1H3,(H2,21,24)/p+1/t18-/m1/s1