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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxo-ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[4-(4-morpholin-4-iumylmethyl)anilino]-2-oxoethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-keto-2-[4-(morpholin-4-ium-4-ylmethyl)anilino]ethyl]-methyl-ammonium Formula: C22H28N4O2S+2 MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC=C(C=C3)C[NH+]4CCOCC4

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC=C(C=C3)C[NH+]4CCOCC4

InChI

InChI=1S/C22H26N4O2S/c1-25(16-22-24-19-4-2-3-5-20(19)29-22)15-21(27)23-18-8-6-17(7-9-18)14-26-10-12-28-13-11-26/h2-9H,10-16H2,1H3,(H,23,27)/p+2