2-phenylsulfanyl-1-[4-(4-pyrrolidin-1-ylcarbonylpiperidin-1-ium-1-yl)piperidin-1-yl]ethanone

Systemtic Name: 2-phenylsulfanyl-1-[4-(4-pyrrolidin-1-ylcarbonylpiperidin-1-ium-1-yl)piperidin-1-yl]ethanone Openeye Name: 2-phenylsulfanyl-1-[4-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]-1-piperidyl]ethanone CAS Name: 1-[4-[4-[oxo(1-pyrrolidinyl)methyl]-1-piperidin-1-iumyl]-1-piperidinyl]-2-(phenylthio)ethanone IUPAC Name: 2-phenylsulfanyl-1-[4-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]piperidin-1-yl]ethanone Traditional Name: 2-(phenylthio)-1-[4-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]piperidino]ethanone Formula: C23H34N3O2S+ MolecularWeight: 416.59996

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2CC[NH+](CC2)C3CCN(CC3)C(=O)CSC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)C2CC[NH+](CC2)C3CCN(CC3)C(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C23H33N3O2S/c27-22(18-29-21-6-2-1-3-7-21)25-16-10-20(11-17-25)24-14-8-19(9-15-24)23(28)26-12-4-5-13-26/h1-3,6-7,19-20H,4-5,8-18H2/p+1