[4-[[methyl(pyrrolidin-1-yl)amino]methyl]-1-phenyl-1,2,4-triazol-4-ium-3-yl]sulfanium

Systemtic Name: [4-[[methyl(pyrrolidin-1-yl)amino]methyl]-1-phenyl-1,2,4-triazol-4-ium-3-yl]sulfanium Openeye Name: [4-[[methyl(pyrrolidin-1-yl)amino]methyl]-1-phenyl-1,2,4-triazol-4-ium-3-yl]sulfonium CAS Name: [4-[[methyl(1-pyrrolidinyl)amino]methyl]-1-phenyl-1,2,4-triazol-4-ium-3-yl]sulfonium IUPAC Name: [4-[[methyl(pyrrolidin-1-yl)amino]methyl]-1-phenyl-1,2,4-triazol-4-ium-3-yl]sulfanium Traditional Name: [4-[[methyl(pyrrolidino)amino]methyl]-1-phenyl-1,2,4-triazol-4-ium-3-yl]sulfonium Formula: C14H21N5S+2 MolecularWeight: 291.41504

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Descriptors Computed from Structure

Canonical SMILES:

CN(C[N+]1=CN(N=C1[SH2+])C2=CC=CC=C2)N3CCCC3

Isomeric SMILES

CN(C[N+]1=CN(N=C1[SH2+])C2=CC=CC=C2)N3CCCC3

InChI

InChI=1S/C14H19N5S/c1-16(18-9-5-6-10-18)11-17-12-19(15-14(17)20)13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3/p+2