dimethyl-[3-[3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-yl]propyl]azanium

Systemtic Name: dimethyl-[3-[3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-yl]propyl]azanium Openeye Name: dimethyl-[3-[3-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-5-(4-pyridyl)-1,2,4-triazol-4-yl]propyl]ammonium CAS Name: dimethyl-[3-[3-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-5-pyridin-4-yl-1,2,4-triazol-4-yl]propyl]ammonium IUPAC Name: dimethyl-[3-[3-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-yl]propyl]azanium Traditional Name: 3-[3-[(2-keto-2-piperidino-ethyl)thio]-5-(4-pyridyl)-1,2,4-triazol-4-yl]propyl-dimethyl-ammonium Formula: C19H29N6OS+ MolecularWeight: 389.53816

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(=NN=C1SCC(=O)N2CCCCC2)C3=CC=NC=C3

Isomeric SMILES

C[NH+](C)CCCN1C(=NN=C1SCC(=O)N2CCCCC2)C3=CC=NC=C3

InChI

InChI=1S/C19H28N6OS/c1-23(2)11-6-14-25-18(16-7-9-20-10-8-16)21-22-19(25)27-15-17(26)24-12-4-3-5-13-24/h7-10H,3-6,11-15H2,1-2H3/p+1