[(2S,3S)-1-[(6-chloranyl-1,3-benzothiazol-2-yl)amino]-3-methyl-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: [(2S,3S)-1-[(6-chloranyl-1,3-benzothiazol-2-yl)amino]-3-methyl-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S,2S)-1-[(6-chloro-1,3-benzothiazol-2-yl)carbamoyl]-2-methyl-butyl]ammonium CAS Name: [(2S,3S)-1-[(6-chloro-1,3-benzothiazol-2-yl)amino]-3-methyl-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S,3S)-1-[(6-chloro-1,3-benzothiazol-2-yl)amino]-3-methyl-1-oxopentan-2-yl]azanium Traditional Name: [(1S,2S)-1-[(6-chloro-1,3-benzothiazol-2-yl)carbamoyl]-2-methyl-butyl]ammonium Formula: C13H17ClN3OS+ MolecularWeight: 298.81158

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=NC2=C(S1)C=C(C=C2)Cl)[NH3+]

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NC1=NC2=C(S1)C=C(C=C2)Cl)[NH3+]

InChI

InChI=1S/C13H16ClN3OS/c1-3-7(2)11(15)12(18)17-13-16-9-5-4-8(14)6-10(9)19-13/h4-7,11H,3,15H2,1-2H3,(H,16,17,18)/p+1/t7-,11-/m0/s1