2-azaniumylethyl-[3-(4-chlorophenyl)sulfanylpropyl]azanium

Systemtic Name: 2-azaniumylethyl-[3-(4-chlorophenyl)sulfanylpropyl]azanium Openeye Name: 2-azaniumylethyl-[3-(4-chlorophenyl)sulfanylpropyl]ammonium CAS Name: 2-ammonioethyl-[3-[(4-chlorophenyl)thio]propyl]ammonium IUPAC Name: 2-azaniumylethyl-[3-(4-chlorophenyl)sulfanylpropyl]azanium Traditional Name: 2-ammonioethyl-[3-[(4-chlorophenyl)thio]propyl]ammonium Formula: C11H19ClN2S+2 MolecularWeight: 246.79996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCC[NH2+]CC[NH3+])Cl

Isomeric SMILES

C1=CC(=CC=C1SCCC[NH2+]CC[NH3+])Cl

InChI

InChI=1S/C11H17ClN2S/c12-10-2-4-11(5-3-10)15-9-1-7-14-8-6-13/h2-5,14H,1,6-9,13H2/p+2