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

Systemtic Name: methyl-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-[(4-piperidin-1-ylphenyl)methyl]azanium Openeye Name: methyl-[(4-methyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-[[4-(1-piperidyl)phenyl]methyl]ammonium CAS Name: methyl-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-[[4-(1-piperidinyl)phenyl]methyl]ammonium IUPAC Name: methyl-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-[(4-piperidin-1-ylphenyl)methyl]azanium Traditional Name: methyl-[(4-methyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-(4-piperidinobenzyl)ammonium Formula: C23H30N5S+ MolecularWeight: 408.5828

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+](C)CC2=CC=C(C=C2)N3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+](C)CC2=CC=C(C=C2)N3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C23H29N5S/c1-25(17-19-11-13-21(14-12-19)27-15-7-4-8-16-27)18-28-23(29)26(2)22(24-28)20-9-5-3-6-10-20/h3,5-6,9-14H,4,7-8,15-18H2,1-2H3/p+1