2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-phenethyl-5-(2-thienylmethyl)-1,2,4-triazole-3-thione CAS Name: 2-[(4-methyl-1-piperidin-1-iumyl)methyl]-4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-phenethyl-5-(2-thenyl)-1,2,4-triazole-3-thione Formula: C22H29N4S2+ MolecularWeight: 413.62246

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CN2C(=S)N(C(=N2)CC3=CC=CS3)CCC4=CC=CC=C4

Isomeric SMILES

CC1CC[NH+](CC1)CN2C(=S)N(C(=N2)CC3=CC=CS3)CCC4=CC=CC=C4

InChI

InChI=1S/C22H28N4S2/c1-18-9-12-24(13-10-18)17-26-22(27)25(14-11-19-6-3-2-4-7-19)21(23-26)16-20-8-5-15-28-20/h2-8,15,18H,9-14,16-17H2,1H3/p+1