(3S)-N-cyclopropyl-1-[1-(2-phenylsulfanylethanoyl)piperidin-4-yl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-cyclopropyl-1-[1-(2-phenylsulfanylethanoyl)piperidin-4-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-cyclopropyl-1-[1-(2-phenylsulfanylacetyl)-4-piperidyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-cyclopropyl-1-[1-[1-oxo-2-(phenylthio)ethyl]-4-piperidinyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-cyclopropyl-1-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-cyclopropyl-1-[1-[2-(phenylthio)acetyl]-4-piperidyl]piperidin-1-ium-3-carboxamide Formula: C22H32N3O2S+ MolecularWeight: 402.57338

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCN(CC2)C(=O)CSC3=CC=CC=C3)C(=O)NC4CC4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCN(CC2)C(=O)CSC3=CC=CC=C3)C(=O)NC4CC4

InChI

InChI=1S/C22H31N3O2S/c26-21(16-28-20-6-2-1-3-7-20)24-13-10-19(11-14-24)25-12-4-5-17(15-25)22(27)23-18-8-9-18/h1-3,6-7,17-19H,4-5,8-16H2,(H,23,27)/p+1/t17-/m0/s1