1,3-benzothiazol-2-ylmethyl-[(2R)-1-[(2-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(2R)-1-[(2-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(1R)-2-(2-methoxyanilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(1R)-2-keto-1-methyl-2-(o-anisidino)ethyl]-methyl-ammonium Formula: C19H22N3O2S+ MolecularWeight: 356.46188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1OC)[NH+](C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1OC)[NH+](C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H21N3O2S/c1-13(19(23)21-14-8-4-6-10-16(14)24-3)22(2)12-18-20-15-9-5-7-11-17(15)25-18/h4-11,13H,12H2,1-3H3,(H,21,23)/p+1/t13-/m1/s1