ethyl-[3-[ethyl(phenylsulfanylmethyl)amino]propyl]-(phenylsulfanylmethyl)azanium

Systemtic Name: ethyl-[3-[ethyl(phenylsulfanylmethyl)amino]propyl]-(phenylsulfanylmethyl)azanium Openeye Name: ethyl-[3-[ethyl(phenylsulfanylmethyl)amino]propyl]-(phenylsulfanylmethyl)ammonium CAS Name: ethyl-[3-[ethyl-[(phenylthio)methyl]amino]propyl]-[(phenylthio)methyl]ammonium IUPAC Name: ethyl-[3-[ethyl(phenylsulfanylmethyl)amino]propyl]-(phenylsulfanylmethyl)azanium Traditional Name: ethyl-[3-[ethyl-[(phenylthio)methyl]amino]propyl]-[(phenylthio)methyl]ammonium Formula: C21H31N2S2+ MolecularWeight: 375.61424

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCCN(CC)CSC1=CC=CC=C1)CSC2=CC=CC=C2

Isomeric SMILES

CC[NH+](CCCN(CC)CSC1=CC=CC=C1)CSC2=CC=CC=C2

InChI

InChI=1S/C21H30N2S2/c1-3-22(18-24-20-12-7-5-8-13-20)16-11-17-23(4-2)19-25-21-14-9-6-10-15-21/h5-10,12-15H,3-4,11,16-19H2,1-2H3/p+1