1,3-benzothiazol-2-ylmethyl-[(2S)-2-oxidanyl-3-(2-propan-2-ylphenoxy)propyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(2S)-2-oxidanyl-3-(2-propan-2-ylphenoxy)propyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(2S)-2-hydroxy-3-(2-isopropylphenoxy)propyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(2S)-2-hydroxy-3-(2-isopropylphenoxy)propyl]ammonium Formula: C20H25N2O2S+ MolecularWeight: 357.4897

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OCC(C[NH2+]CC2=NC3=CC=CC=C3S2)O

Isomeric SMILES

CC(C)C1=CC=CC=C1OC[C@H](C[NH2+]CC2=NC3=CC=CC=C3S2)O

InChI

InChI=1S/C20H24N2O2S/c1-14(2)16-7-3-5-9-18(16)24-13-15(23)11-21-12-20-22-17-8-4-6-10-19(17)25-20/h3-10,14-15,21,23H,11-13H2,1-2H3/p+1/t15-/m0/s1