4-(4-methylphenyl)sulfanylbutyl-(2-morpholin-4-ium-4-ylethyl)azanium

Systemtic Name: 4-(4-methylphenyl)sulfanylbutyl-(2-morpholin-4-ium-4-ylethyl)azanium Openeye Name: 2-morpholin-4-ium-4-ylethyl-[4-(p-tolylsulfanyl)butyl]ammonium CAS Name: 4-[(4-methylphenyl)thio]butyl-[2-(4-morpholin-4-iumyl)ethyl]ammonium IUPAC Name: 4-(4-methylphenyl)sulfanylbutyl-(2-morpholin-4-ium-4-ylethyl)azanium Traditional Name: 2-morpholin-4-ium-4-ylethyl-[4-(p-tolylthio)butyl]ammonium Formula: C17H30N2OS+2 MolecularWeight: 310.4979

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCC[NH2+]CC[NH+]2CCOCC2

Isomeric SMILES

CC1=CC=C(C=C1)SCCCC[NH2+]CC[NH+]2CCOCC2

InChI

InChI=1S/C17H28N2OS/c1-16-4-6-17(7-5-16)21-15-3-2-8-18-9-10-19-11-13-20-14-12-19/h4-7,18H,2-3,8-15H2,1H3/p+2