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

Systemtic Name: [3-(2-ethoxy-2-oxidanylidene-ethyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium Openeye Name: [3-(2-ethoxy-2-oxo-ethyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-[[2-(1-piperidyl)phenyl]methyl]ammonium CAS Name: [3-(2-ethoxy-2-oxoethyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-[[2-(1-piperidinyl)phenyl]methyl]ammonium IUPAC Name: [3-(2-ethoxy-2-oxoethyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium Traditional Name: [3-(2-ethoxy-2-keto-ethyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-(2-piperidinobenzyl)ammonium Formula: C21H32N5O2S+ MolecularWeight: 418.57608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN(C(=S)N1C)C[NH+](C)CC2=CC=CC=C2N3CCCCC3

Isomeric SMILES

CCOC(=O)CC1=NN(C(=S)N1C)C[NH+](C)CC2=CC=CC=C2N3CCCCC3

InChI

InChI=1S/C21H31N5O2S/c1-4-28-20(27)14-19-22-26(21(29)24(19)3)16-23(2)15-17-10-6-7-11-18(17)25-12-8-5-9-13-25/h6-7,10-11H,4-5,8-9,12-16H2,1-3H3/p+1