1,3-benzothiazol-2-ylmethyl-methyl-[2-oxidanylidene-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxidanylidene-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-[2-(4-isopropylphenyl)ethylamino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-keto-2-(2-p-cumenylethylamino)ethyl]-methyl-ammonium Formula: C22H28N3OS+ MolecularWeight: 382.54222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CCNC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CCNC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H27N3OS/c1-16(2)18-10-8-17(9-11-18)12-13-23-21(26)14-25(3)15-22-24-19-6-4-5-7-20(19)27-22/h4-11,16H,12-15H2,1-3H3,(H,23,26)/p+1