1-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-keto-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C23H27N4O2S+ MolecularWeight: 423.55108

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)C[NH+]3CCC(CC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)C[NH+]3CCC(CC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O2S/c1-26(15-21-25-19-9-5-6-10-20(19)30-21)22(28)16-27-13-11-17(12-14-27)23(29)24-18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3,(H,24,29)/p+1