2-(4-chloranylphenoxy)ethyl-methyl-[2-oxidanylidene-2-[[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]ethyl]azanium

Systemtic Name: 2-(4-chloranylphenoxy)ethyl-methyl-[2-oxidanylidene-2-[[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]ethyl]azanium Openeye Name: [2-[[(1S)-1-benzyl-2-oxo-propyl]amino]-2-oxo-ethyl]-[2-(4-chlorophenoxy)ethyl]-methyl-ammonium CAS Name: 2-(4-chlorophenoxy)ethyl-methyl-[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]ammonium IUPAC Name: 2-(4-chlorophenoxy)ethyl-methyl-[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium Traditional Name: [2-[[(1S)-1-benzyl-2-keto-propyl]amino]-2-keto-ethyl]-[2-(4-chlorophenoxy)ethyl]-methyl-ammonium Formula: C21H26ClN2O3+ MolecularWeight: 389.89574

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(=O)C[NH+](C)CCOC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C[NH+](C)CCOC2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H25ClN2O3/c1-16(25)20(14-17-6-4-3-5-7-17)23-21(26)15-24(2)12-13-27-19-10-8-18(22)9-11-19/h3-11,20H,12-15H2,1-2H3,(H,23,26)/p+1/t20-/m0/s1