methyl-[(2-piperidin-1-ylphenyl)methyl]-[(5-propan-2-yl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]azanium

Systemtic Name: methyl-[(2-piperidin-1-ylphenyl)methyl]-[(5-propan-2-yl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]azanium Openeye Name: (5-isopropyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl-methyl-[[2-(1-piperidyl)phenyl]methyl]ammonium CAS Name: methyl-[[2-(1-piperidinyl)phenyl]methyl]-[(5-propan-2-yl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]ammonium IUPAC Name: methyl-[(2-piperidin-1-ylphenyl)methyl]-[(5-propan-2-yl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]azanium Traditional Name: (5-isopropyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl-methyl-(2-piperidinobenzyl)ammonium Formula: C19H30N5S+ MolecularWeight: 360.54

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=S)N(N1)C[NH+](C)CC2=CC=CC=C2N3CCCCC3

Isomeric SMILES

CC(C)C1=NC(=S)N(N1)C[NH+](C)CC2=CC=CC=C2N3CCCCC3

InChI

InChI=1S/C19H29N5S/c1-15(2)18-20-19(25)24(21-18)14-22(3)13-16-9-5-6-10-17(16)23-11-7-4-8-12-23/h5-6,9-10,15H,4,7-8,11-14H2,1-3H3,(H,20,21,25)/p+1