1,3-benzothiazol-2-ylmethyl-[2-[2-(2,4-dimethylphenoxy)ethylamino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[2-(2,4-dimethylphenoxy)ethylamino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-[2-(2,4-dimethylphenoxy)ethylamino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-[2-(2,4-dimethylphenoxy)ethylamino]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-[2-(2,4-dimethylphenoxy)ethylamino]-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-[2-(2,4-dimethylphenoxy)ethylamino]-2-keto-ethyl]-methyl-ammonium Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c1-15-8-9-18(16(2)12-15)26-11-10-22-20(25)13-24(3)14-21-23-17-6-4-5-7-19(17)27-21/h4-9,12H,10-11,13-14H2,1-3H3,(H,22,25)/p+1