4-[4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]piperidin-1-yl]-N-cyclopentyl-benzamide

Systemtic Name: 4-[4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]piperidin-1-yl]-N-cyclopentyl-benzamide Openeye Name: 4-[4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-1-piperidyl]-N-cyclopentyl-benzamide CAS Name: 4-[4-[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]-1-piperidinyl]-N-cyclopentylbenzamide IUPAC Name: 4-[4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]piperidin-1-yl]-N-cyclopentylbenzamide Traditional Name: 4-[4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]piperidino]-N-cyclopentyl-benzamide Formula: C28H35N4OS+ MolecularWeight: 475.6687

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH+]4CCCC4C5=NC6=CC=CC=C6S5

Isomeric SMILES

C1CCC(C1)NC(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH+]4CCC[C@H]4C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C28H34N4OS/c33-27(29-21-6-1-2-7-21)20-11-13-22(14-12-20)31-18-15-23(16-19-31)32-17-5-9-25(32)28-30-24-8-3-4-10-26(24)34-28/h3-4,8,10-14,21,23,25H,1-2,5-7,9,15-19H2,(H,29,33)/p+1/t25-/m0/s1