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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)C(=O)N

Isomeric SMILES

C1C[C@H](C[NH+](C1)CC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)C(=O)N

InChI

InChI=1S/C20H26N4O2S/c21-19(26)15-4-3-9-23(12-15)13-18(25)24-10-7-14(8-11-24)20-22-16-5-1-2-6-17(16)27-20/h1-2,5-6,14-15H,3-4,7-13H2,(H2,21,26)/p+1/t15-/m1/s1