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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(2S)-1-[(3-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-2-(3-chloro-2-methyl-anilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-2-(3-chloro-2-methyl-anilino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C19H21ClN3OS+ MolecularWeight: 374.90754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C(C)[NH+](C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)[C@H](C)[NH+](C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H20ClN3OS/c1-12-14(20)7-6-9-15(12)22-19(24)13(2)23(3)11-18-21-16-8-4-5-10-17(16)25-18/h4-10,13H,11H2,1-3H3,(H,22,24)/p+1/t13-/m0/s1