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

Systemtic Name: N-naphthalen-2-yl-2-[[5-(2-piperidin-1-ium-1-ylethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(2-piperidin-1-ium-1-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-naphthyl)acetamide CAS Name: N-(2-naphthalenyl)-2-[[5-[2-(1-piperidin-1-iumyl)ethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-naphthalen-2-yl-2-[[5-(2-piperidin-1-ium-1-ylethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(2-piperidin-1-ium-1-ylethyl)-1,2,4-triazol-3-yl]thio]-N-(2-naphthyl)acetamide Formula: C24H30N5OS+ MolecularWeight: 436.5929

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC3=CC=CC=C3C=C2)CC[NH+]4CCCCC4

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC3=CC=CC=C3C=C2)CC[NH+]4CCCCC4

InChI

InChI=1S/C24H29N5OS/c1-2-13-29-22(12-16-28-14-6-3-7-15-28)26-27-24(29)31-18-23(30)25-21-11-10-19-8-4-5-9-20(19)17-21/h2,4-5,8-11,17H,1,3,6-7,12-16,18H2,(H,25,30)/p+1