[2-[[2-(1,3-benzothiazol-2-ylmethoxy)ethanoylamino]methyl]phenyl]methyl-diethyl-azanium

Systemtic Name: [2-[[2-(1,3-benzothiazol-2-ylmethoxy)ethanoylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [2-[[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [2-[[[2-(1,3-benzothiazol-2-ylmethoxy)-1-oxoethyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [2-[[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]methyl]phenyl]methyl-diethylazanium Traditional Name: [2-[[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]methyl]benzyl]-diethyl-ammonium Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)COCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)COCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H27N3O2S/c1-3-25(4-2)14-18-10-6-5-9-17(18)13-23-21(26)15-27-16-22-24-19-11-7-8-12-20(19)28-22/h5-12H,3-4,13-16H2,1-2H3,(H,23,26)/p+1