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

Systemtic Name: (3-cyclopropyl-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium Openeye Name: (3-cyclopropyl-4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-[[2-(1-piperidyl)phenyl]methyl]ammonium CAS Name: (3-cyclopropyl-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-[[2-(1-piperidinyl)phenyl]methyl]ammonium IUPAC Name: (3-cyclopropyl-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium Traditional Name: (3-cyclopropyl-4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-(2-piperidinobenzyl)ammonium Formula: C20H30N5S+ MolecularWeight: 372.5507

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+](C)CC2=CC=CC=C2N3CCCCC3)C4CC4

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+](C)CC2=CC=CC=C2N3CCCCC3)C4CC4

InChI

InChI=1S/C20H29N5S/c1-22(15-25-20(26)23(2)19(21-25)16-10-11-16)14-17-8-4-5-9-18(17)24-12-6-3-7-13-24/h4-5,8-9,16H,3,6-7,10-15H2,1-2H3/p+1