2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-ylmethyl)-4-methyl-5-phenyl-1,2,4-triazole-3-thione

Systemtic Name: 2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-ylmethyl)-4-methyl-5-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-ylmethyl)-4-methyl-5-phenyl-1,2,4-triazole-3-thione CAS Name: 2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-ylmethyl)-4-methyl-5-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-ylmethyl)-4-methyl-5-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-ylmethyl)-4-methyl-5-phenyl-1,2,4-triazole-3-thione Formula: C17H23N4O2S+ MolecularWeight: 347.45512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCC3(CC2)OCCO3)C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCC3(CC2)OCCO3)C4=CC=CC=C4

InChI

InChI=1S/C17H22N4O2S/c1-19-15(14-5-3-2-4-6-14)18-21(16(19)24)13-20-9-7-17(8-10-20)22-11-12-23-17/h2-6H,7-13H2,1H3/p+1