2-azaniumylethyl-[4-(4-chlorophenyl)sulfanylbutyl]azanium

Systemtic Name: 2-azaniumylethyl-[4-(4-chlorophenyl)sulfanylbutyl]azanium Openeye Name: 2-azaniumylethyl-[4-(4-chlorophenyl)sulfanylbutyl]ammonium CAS Name: 2-ammonioethyl-[4-[(4-chlorophenyl)thio]butyl]ammonium IUPAC Name: 2-azaniumylethyl-[4-(4-chlorophenyl)sulfanylbutyl]azanium Traditional Name: 2-ammonioethyl-[4-[(4-chlorophenyl)thio]butyl]ammonium Formula: C12H21ClN2S+2 MolecularWeight: 260.82654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCCC[NH2+]CC[NH3+])Cl

Isomeric SMILES

C1=CC(=CC=C1SCCCC[NH2+]CC[NH3+])Cl

InChI

InChI=1S/C12H19ClN2S/c13-11-3-5-12(6-4-11)16-10-2-1-8-15-9-7-14/h3-6,15H,1-2,7-10,14H2/p+2