4-[[4-phenyl-5-[(1S)-1-piperidin-1-ium-1-ylethyl]-1,2,4-triazol-3-yl]sulfanyl]butanenitrile

Systemtic Name: 4-[[4-phenyl-5-[(1S)-1-piperidin-1-ium-1-ylethyl]-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[4-phenyl-5-[(1S)-1-piperidin-1-ium-1-ylethyl]-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[4-phenyl-5-[(1S)-1-(1-piperidin-1-iumyl)ethyl]-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[4-phenyl-5-[(1S)-1-piperidin-1-ium-1-ylethyl]-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[4-phenyl-5-[(1S)-1-piperidin-1-ium-1-ylethyl]-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C19H26N5S+ MolecularWeight: 356.50824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1C2=CC=CC=C2)SCCCC#N)[NH+]3CCCCC3

Isomeric SMILES

C[C@@H](C1=NN=C(N1C2=CC=CC=C2)SCCCC#N)[NH+]3CCCCC3

InChI

InChI=1S/C19H25N5S/c1-16(23-13-7-3-8-14-23)18-21-22-19(25-15-9-6-12-20)24(18)17-10-4-2-5-11-17/h2,4-5,10-11,16H,3,6-9,13-15H2,1H3/p+1/t16-/m0/s1