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

Systemtic Name: dimethyl-[3-[3-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-yl]propyl]azanium Openeye Name: dimethyl-[3-[3-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-5-(4-pyridyl)-1,2,4-triazol-4-yl]propyl]ammonium CAS Name: dimethyl-[3-[3-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-5-pyridin-4-yl-1,2,4-triazol-4-yl]propyl]ammonium IUPAC Name: dimethyl-[3-[3-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-yl]propyl]azanium Traditional Name: 3-[3-[(2-keto-2-pyrrolidino-ethyl)thio]-5-(4-pyridyl)-1,2,4-triazol-4-yl]propyl-dimethyl-ammonium Formula: C18H27N6OS+ MolecularWeight: 375.51158

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(=NN=C1SCC(=O)N2CCCC2)C3=CC=NC=C3

Isomeric SMILES

C[NH+](C)CCCN1C(=NN=C1SCC(=O)N2CCCC2)C3=CC=NC=C3

InChI

InChI=1S/C18H26N6OS/c1-22(2)10-5-13-24-17(15-6-8-19-9-7-15)20-21-18(24)26-14-16(25)23-11-3-4-12-23/h6-9H,3-5,10-14H2,1-2H3/p+1