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

Systemtic Name: 3-[[4-phenyl-5-[(1S)-1-piperidin-1-ium-1-ylethyl]-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[4-phenyl-5-[(1S)-1-piperidin-1-ium-1-ylethyl]-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[4-phenyl-5-[(1S)-1-(1-piperidin-1-iumyl)ethyl]-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[4-phenyl-5-[(1S)-1-piperidin-1-ium-1-ylethyl]-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[4-phenyl-5-[(1S)-1-piperidin-1-ium-1-ylethyl]-1,2,4-triazol-3-yl]thio]propionitrile Formula: C18H24N5S+ MolecularWeight: 342.48166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5S/c1-15(22-12-6-3-7-13-22)17-20-21-18(24-14-8-11-19)23(17)16-9-4-2-5-10-16/h2,4-5,9-10,15H,3,6-8,12-14H2,1H3/p+1/t15-/m0/s1