methyl-(phenylmethyl)-[[5-(3-piperidin-1-ylsulfonylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]azanium

Systemtic Name: methyl-(phenylmethyl)-[[5-(3-piperidin-1-ylsulfonylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]azanium Openeye Name: benzyl-methyl-[[5-[3-(1-piperidylsulfonyl)phenyl]-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]ammonium CAS Name: methyl-(phenylmethyl)-[[5-[3-(1-piperidinylsulfonyl)phenyl]-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]ammonium IUPAC Name: benzyl-methyl-[[5-(3-piperidin-1-ylsulfonylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]azanium Traditional Name: benzyl-methyl-[[5-(3-piperidinosulfonylphenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]ammonium Formula: C22H27N4O3S2+ MolecularWeight: 459.60478

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CN2C(=S)OC(=N2)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CN2C(=S)OC(=N2)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H26N4O3S2/c1-24(16-18-9-4-2-5-10-18)17-26-22(30)29-21(23-26)19-11-8-12-20(15-19)31(27,28)25-13-6-3-7-14-25/h2,4-5,8-12,15H,3,6-7,13-14,16-17H2,1H3/p+1