2-(3-chloranylphenoxy)ethyl-[(2S)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: 2-(3-chloranylphenoxy)ethyl-[(2S)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: 2-(3-chlorophenoxy)ethyl-[(1S)-2-(cyclopentylamino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 2-(3-chlorophenoxy)ethyl-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: 2-(3-chlorophenoxy)ethyl-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-methylazanium Traditional Name: 2-(3-chlorophenoxy)ethyl-[(1S)-2-(cyclopentylamino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C17H26ClN2O2+ MolecularWeight: 325.85354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)[NH+](C)CCOC2=CC(=CC=C2)Cl

Isomeric SMILES

C[C@@H](C(=O)NC1CCCC1)[NH+](C)CCOC2=CC(=CC=C2)Cl

InChI

InChI=1S/C17H25ClN2O2/c1-13(17(21)19-15-7-3-4-8-15)20(2)10-11-22-16-9-5-6-14(18)12-16/h5-6,9,12-13,15H,3-4,7-8,10-11H2,1-2H3,(H,19,21)/p+1/t13-/m0/s1