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

Systemtic Name: N-naphthalen-1-yl-2-[[4-phenyl-5-[(1S)-1-piperidin-1-ium-1-ylethyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-naphthyl)-2-[[4-phenyl-5-[(1S)-1-piperidin-1-ium-1-ylethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-naphthalenyl)-2-[[4-phenyl-5-[(1S)-1-(1-piperidin-1-iumyl)ethyl]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-naphthalen-1-yl-2-[[4-phenyl-5-[(1S)-1-piperidin-1-ium-1-ylethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-naphthyl)-2-[[4-phenyl-5-[(1S)-1-piperidin-1-ium-1-ylethyl]-1,2,4-triazol-3-yl]thio]acetamide Formula: C27H30N5OS+ MolecularWeight: 472.625

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1C2=CC=CC=C2)SCC(=O)NC3=CC=CC4=CC=CC=C43)[NH+]5CCCCC5

Isomeric SMILES

C[C@@H](C1=NN=C(N1C2=CC=CC=C2)SCC(=O)NC3=CC=CC4=CC=CC=C43)[NH+]5CCCCC5

InChI

InChI=1S/C27H29N5OS/c1-20(31-17-8-3-9-18-31)26-29-30-27(32(26)22-13-4-2-5-14-22)34-19-25(33)28-24-16-10-12-21-11-6-7-15-23(21)24/h2,4-7,10-16,20H,3,8-9,17-19H2,1H3,(H,28,33)/p+1/t20-/m0/s1