[(S)-1,3-benzothiazol-2-yl-(3,4-dimethoxyphenyl)methyl]azanium

Systemtic Name: [(S)-1,3-benzothiazol-2-yl-(3,4-dimethoxyphenyl)methyl]azanium Openeye Name: [(S)-1,3-benzothiazol-2-yl-(3,4-dimethoxyphenyl)methyl]ammonium CAS Name: [(S)-1,3-benzothiazol-2-yl-(3,4-dimethoxyphenyl)methyl]ammonium IUPAC Name: [(S)-1,3-benzothiazol-2-yl-(3,4-dimethoxyphenyl)methyl]azanium Traditional Name: [(S)-1,3-benzothiazol-2-yl-(3,4-dimethoxyphenyl)methyl]ammonium Formula: C16H17N2O2S+ MolecularWeight: 301.38338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=NC3=CC=CC=C3S2)[NH3+])OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H](C2=NC3=CC=CC=C3S2)[NH3+])OC

InChI

InChI=1S/C16H16N2O2S/c1-19-12-8-7-10(9-13(12)20-2)15(17)16-18-11-5-3-4-6-14(11)21-16/h3-9,15H,17H2,1-2H3/p+1/t15-/m0/s1