3-(4-methylpiperazin-4-ium-1-yl)propyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)propyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: 3-(4-methylpiperazin-4-ium-1-yl)propyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: 3-(4-methyl-1-piperazin-4-iumyl)propyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: 3-(4-methylpiperazin-4-ium-1-yl)propyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: 3-(4-methylpiperazin-4-ium-1-yl)propyl-[4-(methylthio)benzyl]ammonium Formula: C16H29N3S+2 MolecularWeight: 295.48656

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCC[NH2+]CC2=CC=C(C=C2)SC

Isomeric SMILES

C[NH+]1CCN(CC1)CCC[NH2+]CC2=CC=C(C=C2)SC

InChI

InChI=1S/C16H27N3S/c1-18-10-12-19(13-11-18)9-3-8-17-14-15-4-6-16(20-2)7-5-15/h4-7,17H,3,8-14H2,1-2H3/p+2