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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]ethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-keto-ethyl]-methyl-ammonium Formula: C23H30N4OS+2 MolecularWeight: 410.5755

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H28N4OS/c1-26(17-23-25-20-9-5-6-10-21(20)29-23)16-22(28)24-19-11-13-27(14-12-19)15-18-7-3-2-4-8-18/h2-10,19H,11-17H2,1H3,(H,24,28)/p+2