[5-(cyclohexyl-oxidanyl-phenyl-methyl)-1,3,4-thiadiazol-2-yl]methyl-dimethyl-(3-phenoxypropyl)azanium

Systemtic Name: [5-(cyclohexyl-oxidanyl-phenyl-methyl)-1,3,4-thiadiazol-2-yl]methyl-dimethyl-(3-phenoxypropyl)azanium Openeye Name: [5-(cyclohexyl-hydroxy-phenyl-methyl)-1,3,4-thiadiazol-2-yl]methyl-dimethyl-(3-phenoxypropyl)ammonium CAS Name: [5-(cyclohexyl-hydroxy-phenylmethyl)-1,3,4-thiadiazol-2-yl]methyl-dimethyl-(3-phenoxypropyl)ammonium IUPAC Name: [5-(cyclohexyl-hydroxy-phenylmethyl)-1,3,4-thiadiazol-2-yl]methyl-dimethyl-(3-phenoxypropyl)azanium Traditional Name: [5-(cyclohexyl-hydroxy-phenyl-methyl)-1,3,4-thiadiazol-2-yl]methyl-dimethyl-(3-phenoxypropyl)ammonium Formula: C27H36N3O2S+ MolecularWeight: 466.65864

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCOC1=CC=CC=C1)CC2=NN=C(S2)C(C3CCCCC3)(C4=CC=CC=C4)O

Isomeric SMILES

C[N+](C)(CCCOC1=CC=CC=C1)CC2=NN=C(S2)C(C3CCCCC3)(C4=CC=CC=C4)O

InChI

InChI=1S/C27H36N3O2S/c1-30(2,19-12-20-32-24-17-10-5-11-18-24)21-25-28-29-26(33-25)27(31,22-13-6-3-7-14-22)23-15-8-4-9-16-23/h3,5-7,10-11,13-14,17-18,23,31H,4,8-9,12,15-16,19-21H2,1-2H3/q+1