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

Systemtic Name: 1-phenyl-4-[[4-phenyl-5-[(1S)-1-piperidin-1-ium-1-ylethyl]-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Openeye Name: 1-phenyl-4-[[4-phenyl-5-[(1S)-1-piperidin-1-ium-1-ylethyl]-1,2,4-triazol-3-yl]sulfanyl]butan-1-one CAS Name: 1-phenyl-4-[[4-phenyl-5-[(1S)-1-(1-piperidin-1-iumyl)ethyl]-1,2,4-triazol-3-yl]thio]-1-butanone IUPAC Name: 1-phenyl-4-[[4-phenyl-5-[(1S)-1-piperidin-1-ium-1-ylethyl]-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Traditional Name: 1-phenyl-4-[[4-phenyl-5-[(1S)-1-piperidin-1-ium-1-ylethyl]-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C25H31N4OS+ MolecularWeight: 435.60484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1C2=CC=CC=C2)SCCCC(=O)C3=CC=CC=C3)[NH+]4CCCCC4

Isomeric SMILES

C[C@@H](C1=NN=C(N1C2=CC=CC=C2)SCCCC(=O)C3=CC=CC=C3)[NH+]4CCCCC4

InChI

InChI=1S/C25H30N4OS/c1-20(28-17-9-4-10-18-28)24-26-27-25(29(24)22-14-7-3-8-15-22)31-19-11-16-23(30)21-12-5-2-6-13-21/h2-3,5-8,12-15,20H,4,9-11,16-19H2,1H3/p+1/t20-/m0/s1