2-[4-(2-phenylsulfanylethyl)piperazin-4-ium-1-yl]ethylazanium

Systemtic Name: 2-[4-(2-phenylsulfanylethyl)piperazin-4-ium-1-yl]ethylazanium Openeye Name: 2-[4-(2-phenylsulfanylethyl)piperazin-4-ium-1-yl]ethylammonium CAS Name: 2-[4-[2-(phenylthio)ethyl]-1-piperazin-4-iumyl]ethylammonium IUPAC Name: 2-[4-(2-phenylsulfanylethyl)piperazin-4-ium-1-yl]ethylazanium Traditional Name: 2-[4-[2-(phenylthio)ethyl]piperazin-4-ium-1-yl]ethylammonium Formula: C14H25N3S+2 MolecularWeight: 267.4334

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCSC2=CC=CC=C2)CC[NH3+]

Isomeric SMILES

C1CN(CC[NH+]1CCSC2=CC=CC=C2)CC[NH3+]

InChI

InChI=1S/C14H23N3S/c15-6-7-16-8-10-17(11-9-16)12-13-18-14-4-2-1-3-5-14/h1-5H,6-13,15H2/p+2