1,3-benzothiazol-2-ylmethyl-[(1S)-1-(2,4-dimethylphenyl)ethyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-1-(2,4-dimethylphenyl)ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-1-(2,4-dimethylphenyl)ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-1-(2,4-dimethylphenyl)ethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-1-(2,4-dimethylphenyl)ethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-1-(2,4-dimethylphenyl)ethyl]ammonium Formula: C18H21N2S+ MolecularWeight: 297.43774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2S/c1-12-8-9-15(13(2)10-12)14(3)19-11-18-20-16-6-4-5-7-17(16)21-18/h4-10,14,19H,11H2,1-3H3/p+1/t14-/m0/s1