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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN(C1=S)C[NH+](C)CC2=CC=CC=C2N3CCCCC3

Isomeric SMILES

CC(C)N1C=NN(C1=S)C[NH+](C)CC2=CC=CC=C2N3CCCCC3

InChI

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