6-[4-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]piperazin-1-yl]pyridin-1-ium-3-carbonitrile

Systemtic Name: 6-[4-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]piperazin-1-yl]pyridin-1-ium-3-carbonitrile Openeye Name: 6-[4-(4-methylthiadiazole-5-carbonyl)piperazin-1-yl]pyridin-1-ium-3-carbonitrile CAS Name: 6-[4-[(4-methyl-5-thiadiazolyl)-oxomethyl]-1-piperazinyl]-3-pyridin-1-iumcarbonitrile IUPAC Name: 6-[4-(4-methylthiadiazole-5-carbonyl)piperazin-1-yl]pyridin-1-ium-3-carbonitrile Traditional Name: 6-[4-(4-methylthiadiazole-5-carbonyl)piperazino]pyridin-1-ium-3-carbonitrile Formula: C14H15N6OS+ MolecularWeight: 315.3735

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SN=N1)C(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)C#N

Isomeric SMILES

CC1=C(SN=N1)C(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)C#N

InChI

InChI=1S/C14H14N6OS/c1-10-13(22-18-17-10)14(21)20-6-4-19(5-7-20)12-3-2-11(8-15)9-16-12/h2-3,9H,4-7H2,1H3/p+1