(4-ethoxy-3-methoxy-phenyl)methyl-ethyl-[[5-(phenylcarbamoyl)-1,3,4-thiadiazol-2-yl]methyl]azanium

Systemtic Name: (4-ethoxy-3-methoxy-phenyl)methyl-ethyl-[[5-(phenylcarbamoyl)-1,3,4-thiadiazol-2-yl]methyl]azanium Openeye Name: (4-ethoxy-3-methoxy-phenyl)methyl-ethyl-[[5-(phenylcarbamoyl)-1,3,4-thiadiazol-2-yl]methyl]ammonium CAS Name: [5-[anilino(oxo)methyl]-1,3,4-thiadiazol-2-yl]methyl-[(4-ethoxy-3-methoxyphenyl)methyl]-ethylammonium IUPAC Name: (4-ethoxy-3-methoxyphenyl)methyl-ethyl-[[5-(phenylcarbamoyl)-1,3,4-thiadiazol-2-yl]methyl]azanium Traditional Name: (4-ethoxy-3-methoxy-benzyl)-ethyl-[[5-(phenylcarbamoyl)-1,3,4-thiadiazol-2-yl]methyl]ammonium Formula: C22H27N4O3S+ MolecularWeight: 427.53978

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC(=C(C=C1)OCC)OC)CC2=NN=C(S2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC1=CC(=C(C=C1)OCC)OC)CC2=NN=C(S2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H26N4O3S/c1-4-26(14-16-11-12-18(29-5-2)19(13-16)28-3)15-20-24-25-22(30-20)21(27)23-17-9-7-6-8-10-17/h6-13H,4-5,14-15H2,1-3H3,(H,23,27)/p+1