1,3-benzothiazol-2-ylmethyl-[(2,4-dimethoxyphenyl)methyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(2,4-dimethoxyphenyl)methyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(2,4-dimethoxyphenyl)methyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(2,4-dimethoxyphenyl)methyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(2,4-dimethoxyphenyl)methyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-(2,4-dimethoxybenzyl)-methyl-ammonium Formula: C18H21N2O2S+ MolecularWeight: 329.43654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=C(C=C1)OC)OC)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[NH+](CC1=C(C=C(C=C1)OC)OC)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H20N2O2S/c1-20(11-13-8-9-14(21-2)10-16(13)22-3)12-18-19-15-6-4-5-7-17(15)23-18/h4-10H,11-12H2,1-3H3/p+1