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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C14H20N3OS+ MolecularWeight: 278.3931

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3OS/c1-4-15-14(18)10(2)17(3)9-13-16-11-7-5-6-8-12(11)19-13/h5-8,10H,4,9H2,1-3H3,(H,15,18)/p+1/t10-/m0/s1