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

Systemtic Name: cyclohexyl-[5-[[dimethyl(3-phenoxypropyl)azaniumyl]methyl]-1,2,4-thiadiazol-3-yl]-phenyl-methanolate Openeye Name: cyclohexyl-[5-[[dimethyl(3-phenoxypropyl)ammonio]methyl]-1,2,4-thiadiazol-3-yl]-phenyl-methanolate CAS Name: cyclohexyl-[5-[[dimethyl(3-phenoxypropyl)ammonio]methyl]-1,2,4-thiadiazol-3-yl]-phenylmethanolate IUPAC Name: cyclohexyl-[5-[[dimethyl(3-phenoxypropyl)azaniumyl]methyl]-1,2,4-thiadiazol-3-yl]-phenylmethanolate Traditional Name: cyclohexyl-[5-[[dimethyl(3-phenoxypropyl)ammonio]methyl]-1,2,4-thiadiazol-3-yl]-phenyl-methanolate Formula: C27H35N3O2S MolecularWeight: 465.6507

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCOC1=CC=CC=C1)CC2=NC(=NS2)C(C3CCCCC3)(C4=CC=CC=C4)[O-]

Isomeric SMILES

C[N+](C)(CCCOC1=CC=CC=C1)CC2=NC(=NS2)C(C3CCCCC3)(C4=CC=CC=C4)[O-]

InChI

InChI=1S/C27H35N3O2S/c1-30(2,19-12-20-32-24-17-10-5-11-18-24)21-25-28-26(29-33-25)27(31,22-13-6-3-7-14-22)23-15-8-4-9-16-23/h3,5-7,10-11,13-14,17-18,23H,4,8-9,12,15-16,19-21H2,1-2H3