[(S)-1-benzothiophen-3-yl-(2,4-dimethylphenyl)methyl]azanium

Systemtic Name: [(S)-1-benzothiophen-3-yl-(2,4-dimethylphenyl)methyl]azanium Openeye Name: [(S)-benzothiophen-3-yl-(2,4-dimethylphenyl)methyl]ammonium CAS Name: [(S)-1-benzothiophen-3-yl-(2,4-dimethylphenyl)methyl]ammonium IUPAC Name: [(S)-1-benzothiophen-3-yl-(2,4-dimethylphenyl)methyl]azanium Traditional Name: [(S)-benzothiophen-3-yl-(2,4-dimethylphenyl)methyl]ammonium Formula: C17H18NS+ MolecularWeight: 268.39652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C2=CSC3=CC=CC=C32)[NH3+])C

Isomeric SMILES

CC1=CC(=C(C=C1)[C@@H](C2=CSC3=CC=CC=C32)[NH3+])C

InChI

InChI=1S/C17H17NS/c1-11-7-8-13(12(2)9-11)17(18)15-10-19-16-6-4-3-5-14(15)16/h3-10,17H,18H2,1-2H3/p+1/t17-/m0/s1