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

Systemtic Name: N-(3-methoxyphenyl)-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-(3-methoxyphenyl)acetamide CAS Name: N-(3-methoxyphenyl)-2-[[5-[2-(1-piperidin-1-iumyl)ethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-methoxyphenyl)-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-(3-methoxyphenyl)acetamide Formula: C21H30N5O2S+ MolecularWeight: 416.5602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CSC2=NN=C(N2CC=C)CC[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CSC2=NN=C(N2CC=C)CC[NH+]3CCCCC3

InChI

InChI=1S/C21H29N5O2S/c1-3-11-26-19(10-14-25-12-5-4-6-13-25)23-24-21(26)29-16-20(27)22-17-8-7-9-18(15-17)28-2/h3,7-9,15H,1,4-6,10-14,16H2,2H3,(H,22,27)/p+1