diethyl-[[4-[(3-methylsulfanylpropylazaniumyl)methyl]phenyl]methyl]azanium

Systemtic Name: diethyl-[[4-[(3-methylsulfanylpropylazaniumyl)methyl]phenyl]methyl]azanium Openeye Name: diethyl-[[4-[(3-methylsulfanylpropylammonio)methyl]phenyl]methyl]ammonium CAS Name: diethyl-[[4-[[3-(methylthio)propylammonio]methyl]phenyl]methyl]ammonium IUPAC Name: diethyl-[[4-[(3-methylsulfanylpropylazaniumyl)methyl]phenyl]methyl]azanium Traditional Name: diethyl-[4-[[3-(methylthio)propylammonio]methyl]benzyl]ammonium Formula: C16H30N2S+2 MolecularWeight: 282.4878

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)C[NH2+]CCCSC

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)C[NH2+]CCCSC

InChI

InChI=1S/C16H28N2S/c1-4-18(5-2)14-16-9-7-15(8-10-16)13-17-11-6-12-19-3/h7-10,17H,4-6,11-14H2,1-3H3/p+2