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

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)propyl-[(1S)-1-(4-methylsulfanylphenyl)ethyl]azanium Openeye Name: 3-(4-methylpiperazin-4-ium-1-yl)propyl-[(1S)-1-(4-methylsulfanylphenyl)ethyl]ammonium CAS Name: 3-(4-methyl-1-piperazin-4-iumyl)propyl-[(1S)-1-[4-(methylthio)phenyl]ethyl]ammonium IUPAC Name: 3-(4-methylpiperazin-4-ium-1-yl)propyl-[(1S)-1-(4-methylsulfanylphenyl)ethyl]azanium Traditional Name: 3-(4-methylpiperazin-4-ium-1-yl)propyl-[(1S)-1-[4-(methylthio)phenyl]ethyl]ammonium Formula: C17H31N3S+2 MolecularWeight: 309.51314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)SC)[NH2+]CCCN2CC[NH+](CC2)C

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)SC)[NH2+]CCCN2CC[NH+](CC2)C

InChI

InChI=1S/C17H29N3S/c1-15(16-5-7-17(21-3)8-6-16)18-9-4-10-20-13-11-19(2)12-14-20/h5-8,15,18H,4,9-14H2,1-3H3/p+2/t15-/m0/s1