[(2S)-2-(4-methylsulfanylphenyl)-2-(4-propylpiperazin-4-ium-1-yl)ethyl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(C[NH3+])C2=CC=C(C=C2)SC

Isomeric SMILES

CCC[NH+]1CCN(CC1)[C@H](C[NH3+])C2=CC=C(C=C2)SC

InChI

InChI=1S/C16H27N3S/c1-3-8-18-9-11-19(12-10-18)16(13-17)14-4-6-15(20-2)7-5-14/h4-7,16H,3,8-13,17H2,1-2H3/p+2/t16-/m1/s1