[(S)-1,3-benzothiazol-2-yl-(4-tert-butylphenyl)methyl]azanium

Systemtic Name: [(S)-1,3-benzothiazol-2-yl-(4-tert-butylphenyl)methyl]azanium Openeye Name: [(S)-1,3-benzothiazol-2-yl-(4-tert-butylphenyl)methyl]ammonium CAS Name: [(S)-1,3-benzothiazol-2-yl-(4-tert-butylphenyl)methyl]ammonium IUPAC Name: [(S)-1,3-benzothiazol-2-yl-(4-tert-butylphenyl)methyl]azanium Traditional Name: [(S)-1,3-benzothiazol-2-yl-(4-tert-butylphenyl)methyl]ammonium Formula: C18H21N2S+ MolecularWeight: 297.43774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(C2=NC3=CC=CC=C3S2)[NH3+]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[C@@H](C2=NC3=CC=CC=C3S2)[NH3+]

InChI

InChI=1S/C18H20N2S/c1-18(2,3)13-10-8-12(9-11-13)16(19)17-20-14-6-4-5-7-15(14)21-17/h4-11,16H,19H2,1-3H3/p+1/t16-/m0/s1