2-acetamidoethyl-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]azanium

Systemtic Name: 2-acetamidoethyl-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]azanium Openeye Name: 2-acetamidoethyl-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]ammonium CAS Name: 2-acetamidoethyl-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]ammonium IUPAC Name: 2-acetamidoethyl-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]azanium Traditional Name: 2-acetamidoethyl-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]ammonium Formula: C13H18N3OS+ MolecularWeight: 264.36652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)[NH2+]CCNC(=O)C

Isomeric SMILES

C[C@@H](C1=NC2=CC=CC=C2S1)[NH2+]CCNC(=O)C

InChI

InChI=1S/C13H17N3OS/c1-9(14-7-8-15-10(2)17)13-16-11-5-3-4-6-12(11)18-13/h3-6,9,14H,7-8H2,1-2H3,(H,15,17)/p+1/t9-/m0/s1