(4S,7R)-3-(2-tert-butylphenyl)-7-methyl-4-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium

Systemtic Name: (4S,7R)-3-(2-tert-butylphenyl)-7-methyl-4-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium Openeye Name: (4S,7R)-3-(2-tert-butylphenyl)-4-isopropyl-7-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium CAS Name: (4S,7R)-3-(2-tert-butylphenyl)-7-methyl-4-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium IUPAC Name: (4S,7R)-3-(2-tert-butylphenyl)-7-methyl-4-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium Traditional Name: (4S,7R)-3-(2-tert-butylphenyl)-4-isopropyl-7-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium Formula: C21H30NS+ MolecularWeight: 328.5346

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C2=C1SC=[N+]2C3=CC=CC=C3C(C)(C)C)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H](C2=C1SC=[N+]2C3=CC=CC=C3C(C)(C)C)C(C)C

InChI

InChI=1S/C21H30NS/c1-14(2)16-12-11-15(3)20-19(16)22(13-23-20)18-10-8-7-9-17(18)21(4,5)6/h7-10,13-16H,11-12H2,1-6H3/q+1/t15-,16+/m1/s1