1,3-benzothiazol-2-ylmethyl-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-methyl-ammonium Formula: C20H21N4OS+ MolecularWeight: 365.47194

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NOC(=N2)C[NH+](C)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NOC(=N2)C[NH+](C)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H20N4OS/c1-3-14-8-10-15(11-9-14)20-22-18(25-23-20)12-24(2)13-19-21-16-6-4-5-7-17(16)26-19/h4-11H,3,12-13H2,1-2H3/p+1