1,3-benzothiazol-2-ylmethyl-methyl-[2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-keto-2-[(3,4,5-trimethoxybenzyl)amino]ethyl]-methyl-ammonium Formula: C21H26N3O4S+ MolecularWeight: 416.51384

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NCC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NCC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C21H25N3O4S/c1-24(13-20-23-15-7-5-6-8-18(15)29-20)12-19(25)22-11-14-9-16(26-2)21(28-4)17(10-14)27-3/h5-10H,11-13H2,1-4H3,(H,22,25)/p+1