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

Systemtic Name: N-ethyl-N-naphthalen-1-yl-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-ethyl-N-(1-naphthyl)-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-ethyl-N-(1-naphthalenyl)-2-[[4-phenyl-5-(1-piperidin-1-iumylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-ethyl-N-naphthalen-1-yl-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-ethyl-N-(1-naphthyl)-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C28H32N5OS+ MolecularWeight: 486.65158

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC2=CC=CC=C21)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C[NH+]5CCCCC5

Isomeric SMILES

CCN(C1=CC=CC2=CC=CC=C21)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C[NH+]5CCCCC5

InChI

InChI=1S/C28H31N5OS/c1-2-32(25-17-11-13-22-12-7-8-16-24(22)25)27(34)21-35-28-30-29-26(20-31-18-9-4-10-19-31)33(28)23-14-5-3-6-15-23/h3,5-8,11-17H,2,4,9-10,18-21H2,1H3/p+1