[(2R)-1-(1,3-benzothiazol-2-yl)-5-phenyl-pentan-2-yl]azanium

Systemtic Name: [(2R)-1-(1,3-benzothiazol-2-yl)-5-phenyl-pentan-2-yl]azanium Openeye Name: [(1R)-1-(1,3-benzothiazol-2-ylmethyl)-4-phenyl-butyl]ammonium CAS Name: [(2R)-1-(1,3-benzothiazol-2-yl)-5-phenylpentan-2-yl]ammonium IUPAC Name: [(2R)-1-(1,3-benzothiazol-2-yl)-5-phenylpentan-2-yl]azanium Traditional Name: [(1R)-1-(1,3-benzothiazol-2-ylmethyl)-4-phenyl-butyl]ammonium Formula: C18H21N2S+ MolecularWeight: 297.43774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(CC2=NC3=CC=CC=C3S2)[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)CCC[C@H](CC2=NC3=CC=CC=C3S2)[NH3+]

InChI

InChI=1S/C18H20N2S/c19-15(10-6-9-14-7-2-1-3-8-14)13-18-20-16-11-4-5-12-17(16)21-18/h1-5,7-8,11-12,15H,6,9-10,13,19H2/p+1/t15-/m1/s1