1,3-benzothiazol-2-ylmethyl-[(2R)-3-(4-ethoxycarbonylphenoxy)-2-oxidanyl-propyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(2R)-3-(4-ethoxycarbonylphenoxy)-2-oxidanyl-propyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(2R)-3-(4-ethoxycarbonylphenoxy)-2-hydroxy-propyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(2R)-3-(4-ethoxycarbonylphenoxy)-2-hydroxypropyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(2R)-3-(4-ethoxycarbonylphenoxy)-2-hydroxypropyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(2R)-3-(4-carbethoxyphenoxy)-2-hydroxy-propyl]-methyl-ammonium Formula: C21H25N2O4S+ MolecularWeight: 401.4992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC(C[NH+](C)CC2=NC3=CC=CC=C3S2)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC[C@@H](C[NH+](C)CC2=NC3=CC=CC=C3S2)O

InChI

InChI=1S/C21H24N2O4S/c1-3-26-21(25)15-8-10-17(11-9-15)27-14-16(24)12-23(2)13-20-22-18-6-4-5-7-19(18)28-20/h4-11,16,24H,3,12-14H2,1-2H3/p+1/t16-/m1/s1