(3-azanyl-3-oxidanylidene-propyl)-[(2R)-3-(4-methylphenoxy)-2-oxidanyl-propyl]-(phenylmethyl)azanium

Systemtic Name: (3-azanyl-3-oxidanylidene-propyl)-[(2R)-3-(4-methylphenoxy)-2-oxidanyl-propyl]-(phenylmethyl)azanium Openeye Name: (3-amino-3-oxo-propyl)-benzyl-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]ammonium CAS Name: (3-amino-3-oxopropyl)-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-(phenylmethyl)ammonium IUPAC Name: (3-amino-3-oxopropyl)-benzyl-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]azanium Traditional Name: (3-amino-3-keto-propyl)-benzyl-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]ammonium Formula: C20H27N2O3+ MolecularWeight: 343.43998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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