1,3-benzothiazol-2-ylmethyl-[(1S)-1-(3-bromophenyl)ethyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-1-(3-bromophenyl)ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-1-(3-bromophenyl)ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-1-(3-bromophenyl)ethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-1-(3-bromophenyl)ethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-1-(3-bromophenyl)ethyl]ammonium Formula: C16H16BrN2S+ MolecularWeight: 348.28064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)Br)[NH2+]CC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@@H](C1=CC(=CC=C1)Br)[NH2+]CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H15BrN2S/c1-11(12-5-4-6-13(17)9-12)18-10-16-19-14-7-2-3-8-15(14)20-16/h2-9,11,18H,10H2,1H3/p+1/t11-/m0/s1