[(2S)-3-(3-chloranylphenoxy)-2-oxidanyl-propyl]-propyl-azanium

Systemtic Name: [(2S)-3-(3-chloranylphenoxy)-2-oxidanyl-propyl]-propyl-azanium Openeye Name: [(2S)-3-(3-chlorophenoxy)-2-hydroxy-propyl]-propyl-ammonium CAS Name: [(2S)-3-(3-chlorophenoxy)-2-hydroxypropyl]-propylammonium IUPAC Name: [(2S)-3-(3-chlorophenoxy)-2-hydroxypropyl]-propylazanium Traditional Name: [(2S)-3-(3-chlorophenoxy)-2-hydroxy-propyl]-propyl-ammonium Formula: C12H19ClNO2+ MolecularWeight: 244.73776

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH2+]CC(COC1=CC(=CC=C1)Cl)O

Isomeric SMILES

CCC[NH2+]C[C@@H](COC1=CC(=CC=C1)Cl)O

InChI

InChI=1S/C12H18ClNO2/c1-2-6-14-8-11(15)9-16-12-5-3-4-10(13)7-12/h3-5,7,11,14-15H,2,6,8-9H2,1H3/p+1/t11-/m0/s1