1,3-benzothiazol-2-ylmethyl-[(1S)-1-(2-methylphenyl)ethyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-1-(2-methylphenyl)ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-1-(o-tolyl)ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-1-(2-methylphenyl)ethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-1-(2-methylphenyl)ethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-1-(o-tolyl)ethyl]ammonium Formula: C17H19N2S+ MolecularWeight: 283.41116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)[NH2+]CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=CC=C1[C@H](C)[NH2+]CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H18N2S/c1-12-7-3-4-8-14(12)13(2)18-11-17-19-15-9-5-6-10-16(15)20-17/h3-10,13,18H,11H2,1-2H3/p+1/t13-/m0/s1