dimethyl-[1-[[(4-methylsulfanylphenyl)methylazaniumyl]methyl]cyclohexyl]azanium

Systemtic Name: dimethyl-[1-[[(4-methylsulfanylphenyl)methylazaniumyl]methyl]cyclohexyl]azanium Openeye Name: dimethyl-[1-[[(4-methylsulfanylphenyl)methylammonio]methyl]cyclohexyl]ammonium CAS Name: dimethyl-[1-[[[4-(methylthio)phenyl]methylammonio]methyl]cyclohexyl]ammonium IUPAC Name: dimethyl-[1-[[(4-methylsulfanylphenyl)methylazaniumyl]methyl]cyclohexyl]azanium Traditional Name: dimethyl-[1-[[[4-(methylthio)benzyl]ammonio]methyl]cyclohexyl]ammonium Formula: C17H30N2S+2 MolecularWeight: 294.4985

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1(CCCCC1)C[NH2+]CC2=CC=C(C=C2)SC

Isomeric SMILES

C[NH+](C)C1(CCCCC1)C[NH2+]CC2=CC=C(C=C2)SC

InChI

InChI=1S/C17H28N2S/c1-19(2)17(11-5-4-6-12-17)14-18-13-15-7-9-16(20-3)10-8-15/h7-10,18H,4-6,11-14H2,1-3H3/p+2