1,3-benzothiazol-2-ylmethyl-[(3-methoxy-2-oxidanyl-phenyl)methyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(3-methoxy-2-oxidanyl-phenyl)methyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(2-hydroxy-3-methoxy-phenyl)methyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(2-hydroxy-3-methoxyphenyl)methyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(2-hydroxy-3-methoxyphenyl)methyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-(2-hydroxy-3-methoxy-benzyl)ammonium Formula: C16H17N2O2S+ MolecularWeight: 301.38338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1O)C[NH2+]CC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=CC=CC(=C1O)C[NH2+]CC2=NC3=CC=CC=C3S2

InChI

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