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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH2+]CCC1=NC2=CC=CC=C2S1)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C[NH2+]CCC1=NC2=CC=CC=C2S1)C3=CC=CC=C3

InChI

InChI=1S/C18H20N2S/c1-14(15-7-3-2-4-8-15)13-19-12-11-18-20-16-9-5-6-10-17(16)21-18/h2-10,14,19H,11-13H2,1H3/p+1/t14-/m1/s1