1,3-benzothiazol-2-ylmethyl-methyl-[2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxo-ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[[1-(4-morpholin-4-iumyl)cyclohexyl]methylamino]-2-oxoethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxoethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-keto-2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]ethyl]-methyl-ammonium Formula: C22H34N4O2S+2 MolecularWeight: 418.59596

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NCC3(CCCCC3)[NH+]4CCOCC4

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NCC3(CCCCC3)[NH+]4CCOCC4

InChI

InChI=1S/C22H32N4O2S/c1-25(16-21-24-18-7-3-4-8-19(18)29-21)15-20(27)23-17-22(9-5-2-6-10-22)26-11-13-28-14-12-26/h3-4,7-8H,2,5-6,9-17H2,1H3,(H,23,27)/p+2