1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanone

Systemtic Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanone Openeye Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]ethanone CAS Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]ethanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanone Traditional Name: 1-[4-(1,3-benzothiazol-2-yl)piperidino]-2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]ethanone Formula: C22H26N3OS2+ MolecularWeight: 412.59134

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)C5=CC=CS5

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)C5=CC=CS5

InChI

InChI=1S/C22H25N3OS2/c26-21(15-25-11-3-6-18(25)20-8-4-14-27-20)24-12-9-16(10-13-24)22-23-17-5-1-2-7-19(17)28-22/h1-2,4-5,7-8,14,16,18H,3,6,9-13,15H2/p+1/t18-/m1/s1