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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-keto-ethyl]-methyl-ammonium Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCNC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCNC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H25N3O3S/c1-3-26-16-8-10-17(11-9-16)27-13-12-22-20(25)14-24(2)15-21-23-18-6-4-5-7-19(18)28-21/h4-11H,3,12-15H2,1-2H3,(H,22,25)/p+1