2-(4-chloranylphenoxy)ethyl-methyl-[3-oxidanylidene-3-[[(1S)-1-phenylethyl]amino]propyl]azanium

Systemtic Name: 2-(4-chloranylphenoxy)ethyl-methyl-[3-oxidanylidene-3-[[(1S)-1-phenylethyl]amino]propyl]azanium Openeye Name: 2-(4-chlorophenoxy)ethyl-methyl-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]ammonium CAS Name: 2-(4-chlorophenoxy)ethyl-methyl-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]ammonium IUPAC Name: 2-(4-chlorophenoxy)ethyl-methyl-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]azanium Traditional Name: 2-(4-chlorophenoxy)ethyl-[3-keto-3-[[(1S)-1-phenylethyl]amino]propyl]-methyl-ammonium Formula: C20H26ClN2O2+ MolecularWeight: 361.88564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CC[NH+](C)CCOC2=CC=C(C=C2)Cl

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)CC[NH+](C)CCOC2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H25ClN2O2/c1-16(17-6-4-3-5-7-17)22-20(24)12-13-23(2)14-15-25-19-10-8-18(21)9-11-19/h3-11,16H,12-15H2,1-2H3,(H,22,24)/p+1/t16-/m0/s1