1,3-benzothiazol-2-ylmethyl-[(1S)-1-(4-methyl-2-oxidanyl-phenyl)ethyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-1-(4-methyl-2-oxidanyl-phenyl)ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-1-(2-hydroxy-4-methyl-phenyl)ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-1-(2-hydroxy-4-methylphenyl)ethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-1-(2-hydroxy-4-methylphenyl)ethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-1-(2-hydroxy-4-methyl-phenyl)ethyl]ammonium Formula: C17H19N2OS+ MolecularWeight: 299.41056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2OS/c1-11-7-8-13(15(20)9-11)12(2)18-10-17-19-14-5-3-4-6-16(14)21-17/h3-9,12,18,20H,10H2,1-2H3/p+1/t12-/m0/s1