4-phenethyl-2-(piperidin-1-ium-1-ylmethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 4-phenethyl-2-(piperidin-1-ium-1-ylmethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-phenethyl-2-(piperidin-1-ium-1-ylmethyl)-5-(2-thienylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-phenethyl-2-(1-piperidin-1-iumylmethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-phenethyl-2-(piperidin-1-ium-1-ylmethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-phenethyl-2-(piperidin-1-ium-1-ylmethyl)-5-(2-thenyl)-1,2,4-triazole-3-thione Formula: C21H27N4S2+ MolecularWeight: 399.59588

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C(=S)N(C(=N2)CC3=CC=CS3)CCC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CN2C(=S)N(C(=N2)CC3=CC=CS3)CCC4=CC=CC=C4

InChI

InChI=1S/C21H26N4S2/c26-21-24(14-11-18-8-3-1-4-9-18)20(16-19-10-7-15-27-19)22-25(21)17-23-12-5-2-6-13-23/h1,3-4,7-10,15H,2,5-6,11-14,16-17H2/p+1