dimethyl-[3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbothioylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbothioylamino]propyl]azanium Openeye Name: dimethyl-[3-[(4-pyridin-1-ium-2-ylpiperazine-1-carbothioyl)amino]propyl]ammonium CAS Name: dimethyl-[3-[[[4-(2-pyridin-1-iumyl)-1-piperazinyl]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[(4-pyridin-1-ium-2-ylpiperazine-1-carbothioyl)amino]propyl]azanium Traditional Name: dimethyl-[3-[(4-pyridin-1-ium-2-ylpiperazine-1-carbothioyl)amino]propyl]ammonium Formula: C15H27N5S+2 MolecularWeight: 309.47338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25N5S/c1-18(2)9-5-8-17-15(21)20-12-10-19(11-13-20)14-6-3-4-7-16-14/h3-4,6-7H,5,8-13H2,1-2H3,(H,17,21)/p+2