[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-[(4-cyanophenyl)methyl]-methyl-azanium

Systemtic Name: [(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-[(4-cyanophenyl)methyl]-methyl-azanium Openeye Name: [(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-[(4-cyanophenyl)methyl]-methyl-ammonium CAS Name: [(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-[(4-cyanophenyl)methyl]-methylammonium IUPAC Name: [(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-[(4-cyanophenyl)methyl]-methylazanium Traditional Name: [(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-(4-cyanobenzyl)-methyl-ammonium Formula: C18H18N3S+ MolecularWeight: 308.42062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)[NH+](C)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2S1)[NH+](C)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H17N3S/c1-13(18-20-16-5-3-4-6-17(16)22-18)21(2)12-15-9-7-14(11-19)8-10-15/h3-10,13H,12H2,1-2H3/p+1/t13-/m1/s1