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

Systemtic Name: [(2S,3S)-3-methyl-1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S,2S)-2-methyl-1-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]butyl]ammonium CAS Name: [(2S,3S)-3-methyl-1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S,3S)-3-methyl-1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxopentan-2-yl]azanium Traditional Name: [(1S,2S)-2-methyl-1-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]butyl]ammonium Formula: C14H20N3OS+ MolecularWeight: 278.3931

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3OS/c1-4-9(3)12(15)13(18)17-14-16-10-6-5-8(2)7-11(10)19-14/h5-7,9,12H,4,15H2,1-3H3,(H,16,17,18)/p+1/t9-,12-/m0/s1