1-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[4-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C20H27N4O2S+ MolecularWeight: 387.51898

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H26N4O2S/c21-19(26)14-5-9-23(10-6-14)13-18(25)24-11-7-15(8-12-24)20-22-16-3-1-2-4-17(16)27-20/h1-4,14-15H,5-13H2,(H2,21,26)/p+1