[(2S)-4-methylsulfanyl-1-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]butan-2-yl]azanium

Systemtic Name: [(2S)-4-methylsulfanyl-1-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]butan-2-yl]azanium Openeye Name: [(1S)-3-methylsulfanyl-1-[[4-(3-phenylpropyl)piperazin-4-ium-1-yl]methyl]propyl]ammonium CAS Name: [(2S)-4-(methylthio)-1-[4-(3-phenylpropyl)-1-piperazin-4-iumyl]butan-2-yl]ammonium IUPAC Name: [(2S)-4-methylsulfanyl-1-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]butan-2-yl]azanium Traditional Name: [(1S)-3-(methylthio)-1-[[4-(3-phenylpropyl)piperazin-4-ium-1-yl]methyl]propyl]ammonium Formula: C18H33N3S+2 MolecularWeight: 323.53972

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(CN1CC[NH+](CC1)CCCC2=CC=CC=C2)[NH3+]

Isomeric SMILES

CSCC[C@@H](CN1CC[NH+](CC1)CCCC2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C18H31N3S/c1-22-15-9-18(19)16-21-13-11-20(12-14-21)10-5-8-17-6-3-2-4-7-17/h2-4,6-7,18H,5,8-16,19H2,1H3/p+2/t18-/m0/s1