N-(3-phenylsulfanylpropyl)-2-(4-piperidin-1-ylcarbonylpiperidin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-phenylsulfanylpropyl)-2-(4-piperidin-1-ylcarbonylpiperidin-1-ium-1-yl)ethanamide Openeye Name: N-(3-phenylsulfanylpropyl)-2-[4-(piperidine-1-carbonyl)piperidin-1-ium-1-yl]acetamide CAS Name: 2-[4-[oxo(1-piperidinyl)methyl]-1-piperidin-1-iumyl]-N-[3-(phenylthio)propyl]acetamide IUPAC Name: N-(3-phenylsulfanylpropyl)-2-[4-(piperidine-1-carbonyl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-[3-(phenylthio)propyl]-2-[4-(piperidine-1-carbonyl)piperidin-1-ium-1-yl]acetamide Formula: C22H34N3O2S+ MolecularWeight: 404.58926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NCCCSC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NCCCSC3=CC=CC=C3

InChI

InChI=1S/C22H33N3O2S/c26-21(23-12-7-17-28-20-8-3-1-4-9-20)18-24-15-10-19(11-16-24)22(27)25-13-5-2-6-14-25/h1,3-4,8-9,19H,2,5-7,10-18H2,(H,23,26)/p+1