dimethyl-[2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbothioylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbothioylamino]ethyl]azanium Openeye Name: dimethyl-[2-[(4-pyridin-1-ium-2-ylpiperazine-1-carbothioyl)amino]ethyl]ammonium CAS Name: dimethyl-[2-[[[4-(2-pyridin-1-iumyl)-1-piperazinyl]-sulfanylidenemethyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[(4-pyridin-1-ium-2-ylpiperazine-1-carbothioyl)amino]ethyl]azanium Traditional Name: dimethyl-[2-[(4-pyridin-1-ium-2-ylpiperazine-1-carbothioyl)amino]ethyl]ammonium Formula: C14H25N5S+2 MolecularWeight: 295.4468

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)N1CCN(CC1)C2=CC=CC=[NH+]2

Isomeric SMILES

C[NH+](C)CCNC(=S)N1CCN(CC1)C2=CC=CC=[NH+]2

InChI

InChI=1S/C14H23N5S/c1-17(2)8-7-16-14(20)19-11-9-18(10-12-19)13-5-3-4-6-15-13/h3-6H,7-12H2,1-2H3,(H,16,20)/p+2