1,3-benzothiazol-2-ylmethyl-[(2S)-1-[(3-chloranyl-4-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(2S)-1-[(3-chloranyl-4-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-2-(3-chloro-4-methoxy-anilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(2S)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(2S)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-2-(3-chloro-4-methoxy-anilino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C19H21ClN3O2S+ MolecularWeight: 390.90694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O2S/c1-12(19(24)21-13-8-9-16(25-3)14(20)10-13)23(2)11-18-22-15-6-4-5-7-17(15)26-18/h4-10,12H,11H2,1-3H3,(H,21,24)/p+1/t12-/m0/s1