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

Systemtic Name: [(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-(3-phenylpropyl)azanium Openeye Name: [(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-(3-phenylpropyl)ammonium CAS Name: [(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-(3-phenylpropyl)ammonium IUPAC Name: [(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-(3-phenylpropyl)azanium Traditional Name: [(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-(3-phenylpropyl)ammonium Formula: C18H21N2S+ MolecularWeight: 297.43774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)[NH2+]CCCC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C1=NC2=CC=CC=C2S1)[NH2+]CCCC3=CC=CC=C3

InChI

InChI=1S/C18H20N2S/c1-14(18-20-16-11-5-6-12-17(16)21-18)19-13-7-10-15-8-3-2-4-9-15/h2-6,8-9,11-12,14,19H,7,10,13H2,1H3/p+1/t14-/m0/s1