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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)OC)[NH+](C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=CC=C1)OC)[NH+](C)CC2=NC3=CC=CC=C3S2

InChI

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