(3-methoxy-4-phenylmethoxy-phenyl)methyl-methyl-[(2-sulfanylidene-1,3,4-thiadiazol-3-yl)methyl]azanium

Systemtic Name: (3-methoxy-4-phenylmethoxy-phenyl)methyl-methyl-[(2-sulfanylidene-1,3,4-thiadiazol-3-yl)methyl]azanium Openeye Name: (4-benzyloxy-3-methoxy-phenyl)methyl-methyl-[(2-thioxo-1,3,4-thiadiazol-3-yl)methyl]ammonium CAS Name: (3-methoxy-4-phenylmethoxyphenyl)methyl-methyl-[(2-sulfanylidene-1,3,4-thiadiazol-3-yl)methyl]ammonium IUPAC Name: (3-methoxy-4-phenylmethoxyphenyl)methyl-methyl-[(2-sulfanylidene-1,3,4-thiadiazol-3-yl)methyl]azanium Traditional Name: (4-benzoxy-3-methoxy-benzyl)-methyl-[(2-thioxo-1,3,4-thiadiazol-3-yl)methyl]ammonium Formula: C19H22N3O2S2+ MolecularWeight: 388.52688

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)CN3C(=S)SC=N3

Isomeric SMILES

C[NH+](CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)CN3C(=S)SC=N3

InChI

InChI=1S/C19H21N3O2S2/c1-21(14-22-19(25)26-13-20-22)11-16-8-9-17(18(10-16)23-2)24-12-15-6-4-3-5-7-15/h3-10,13H,11-12,14H2,1-2H3/p+1