[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl]-[(3-methoxyphenyl)methyl]-methyl-azanium

Systemtic Name: [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl]-[(3-methoxyphenyl)methyl]-methyl-azanium Openeye Name: [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxo-ethyl]-[(3-methoxyphenyl)methyl]-methyl-ammonium CAS Name: [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylammonium IUPAC Name: [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium Traditional Name: [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-keto-ethyl]-m-anisyl-methyl-ammonium Formula: C20H24N3O2S+ MolecularWeight: 370.48846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O2S/c1-22(12-15-7-6-8-16(11-15)25-3)14-20(24)23(2)13-19-21-17-9-4-5-10-18(17)26-19/h4-11H,12-14H2,1-3H3/p+1