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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]-2-oxo-ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[[2-(4-morpholin-4-iumylmethyl)phenyl]methylamino]-2-oxoethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-keto-2-[[2-(morpholin-4-ium-4-ylmethyl)benzyl]amino]ethyl]-methyl-ammonium Formula: C23H30N4O2S+2 MolecularWeight: 426.5749

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NCC3=CC=CC=C3C[NH+]4CCOCC4

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NCC3=CC=CC=C3C[NH+]4CCOCC4

InChI

InChI=1S/C23H28N4O2S/c1-26(17-23-25-20-8-4-5-9-21(20)30-23)16-22(28)24-14-18-6-2-3-7-19(18)15-27-10-12-29-13-11-27/h2-9H,10-17H2,1H3,(H,24,28)/p+2