3-[[(1S)-1-(3-chlorophenyl)ethyl]azaniumyl]propyl-dimethyl-azanium

Systemtic Name: 3-[[(1S)-1-(3-chlorophenyl)ethyl]azaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[(1S)-1-(3-chlorophenyl)ethyl]ammonio]propyl-dimethyl-ammonium CAS Name: 3-[[(1S)-1-(3-chlorophenyl)ethyl]ammonio]propyl-dimethylammonium IUPAC Name: 3-[[(1S)-1-(3-chlorophenyl)ethyl]azaniumyl]propyl-dimethylazanium Traditional Name: 3-[[(1S)-1-(3-chlorophenyl)ethyl]ammonio]propyl-dimethyl-ammonium Formula: C13H23ClN2+2 MolecularWeight: 242.78812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)Cl)[NH2+]CCC[NH+](C)C

Isomeric SMILES

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

InChI

InChI=1S/C13H21ClN2/c1-11(15-8-5-9-16(2)3)12-6-4-7-13(14)10-12/h4,6-7,10-11,15H,5,8-9H2,1-3H3/p+2/t11-/m0/s1