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

Systemtic Name: 2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 2-[(4-methyl-1-piperidin-1-iumyl)methyl]-4-phenyl-5-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C20H31N5S+2 MolecularWeight: 373.55864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CN2C(=S)N(C(=N2)C[NH+]3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1CC[NH+](CC1)CN2C(=S)N(C(=N2)C[NH+]3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C20H29N5S/c1-17-9-13-23(14-10-17)16-24-20(26)25(18-7-3-2-4-8-18)19(21-24)15-22-11-5-6-12-22/h2-4,7-8,17H,5-6,9-16H2,1H3/p+2