3-[4-ethyl-1-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-ethyl-1-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-ethyl-5-thioxo-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-ethyl-1-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-ethyl-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-ethyl-5-thioxo-1,2,4-triazol-3-yl]propionamide Formula: C20H30N5OS+ MolecularWeight: 388.5501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCC(CC2)CC3=CC=CC=C3)CCC(=O)N

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCC(CC2)CC3=CC=CC=C3)CCC(=O)N

InChI

InChI=1S/C20H29N5OS/c1-2-24-19(9-8-18(21)26)22-25(20(24)27)15-23-12-10-17(11-13-23)14-16-6-4-3-5-7-16/h3-7,17H,2,8-15H2,1H3,(H2,21,26)/p+1