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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-(4-morpholinoanilino)-2-oxo-ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[4-(4-morpholinyl)anilino]-2-oxoethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-keto-2-(4-morpholinoanilino)ethyl]-methyl-ammonium Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC=C(C=C3)N4CCOCC4

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC=C(C=C3)N4CCOCC4

InChI

InChI=1S/C21H24N4O2S/c1-24(15-21-23-18-4-2-3-5-19(18)28-21)14-20(26)22-16-6-8-17(9-7-16)25-10-12-27-13-11-25/h2-9H,10-15H2,1H3,(H,22,26)/p+1