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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[4-(1-piperidyl)anilino]ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[4-(1-piperidinyl)anilino]ethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-keto-2-(4-piperidinoanilino)ethyl]-methyl-ammonium Formula: C22H27N4OS+ MolecularWeight: 395.54098

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC=C(C=C3)N4CCCCC4

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC=C(C=C3)N4CCCCC4

InChI

InChI=1S/C22H26N4OS/c1-25(16-22-24-19-7-3-4-8-20(19)28-22)15-21(27)23-17-9-11-18(12-10-17)26-13-5-2-6-14-26/h3-4,7-12H,2,5-6,13-16H2,1H3,(H,23,27)/p+1