N-[[4-prop-2-enyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]propanamide

Systemtic Name: N-[[4-prop-2-enyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]propanamide Openeye Name: N-[[4-allyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]propanamide CAS Name: N-[[4-prop-2-enyl-5-[2-(1-pyrrolidin-1-iumyl)ethylthio]-1,2,4-triazol-3-yl]methyl]propanamide IUPAC Name: N-[[4-prop-2-enyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]propanamide Traditional Name: N-[[4-allyl-5-(2-pyrrolidin-1-ium-1-ylethylthio)-1,2,4-triazol-3-yl]methyl]propionamide Formula: C15H26N5OS+ MolecularWeight: 324.46484

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NCC1=NN=C(N1CC=C)SCC[NH+]2CCCC2

Isomeric SMILES

CCC(=O)NCC1=NN=C(N1CC=C)SCC[NH+]2CCCC2

InChI

InChI=1S/C15H25N5OS/c1-3-7-20-13(12-16-14(21)4-2)17-18-15(20)22-11-10-19-8-5-6-9-19/h3H,1,4-12H2,2H3,(H,16,21)/p+1