1,3-benzothiazol-2-ylmethyl-[(1S)-1-[2,4-bis(oxidanyl)phenyl]ethyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-1-[2,4-bis(oxidanyl)phenyl]ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-1-(2,4-dihydroxyphenyl)ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-1-(2,4-dihydroxyphenyl)ethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-1-(2,4-dihydroxyphenyl)ethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-1-(2,4-dihydroxyphenyl)ethyl]ammonium Formula: C16H17N2O2S+ MolecularWeight: 301.38338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O2S/c1-10(12-7-6-11(19)8-14(12)20)17-9-16-18-13-4-2-3-5-15(13)21-16/h2-8,10,17,19-20H,9H2,1H3/p+1/t10-/m0/s1