1,3-benzothiazol-2-ylmethyl-methyl-[(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl]azanium Openeye Name: [(1S)-2-(allylamino)-1-methyl-2-oxo-ethyl]-(1,3-benzothiazol-2-ylmethyl)-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl]azanium Traditional Name: [(1S)-2-(allylamino)-2-keto-1-methyl-ethyl]-(1,3-benzothiazol-2-ylmethyl)-methyl-ammonium Formula: C15H20N3OS+ MolecularWeight: 290.4038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)[NH+](C)CC1=NC2=CC=CC=C2S1

Isomeric SMILES

C[C@@H](C(=O)NCC=C)[NH+](C)CC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C15H19N3OS/c1-4-9-16-15(19)11(2)18(3)10-14-17-12-7-5-6-8-13(12)20-14/h4-8,11H,1,9-10H2,2-3H3,(H,16,19)/p+1/t11-/m0/s1