1-[2-[4-(2-phenylsulfanylethanoylamino)pyrazol-1-yl]ethanoyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-[2-[4-(2-phenylsulfanylethanoylamino)pyrazol-1-yl]ethanoyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-[2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[1-oxo-2-[4-[[1-oxo-2-(phenylthio)ethyl]amino]-1-pyrazolyl]ethyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-[2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetyl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-[2-[4-[[2-(phenylthio)acetyl]amino]pyrazol-1-yl]acetyl]-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C24H33N6O3S+ MolecularWeight: 485.62222

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CCN(CC2)C(=O)CN3C=C(C=N3)NC(=O)CSC4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CCN(CC2)C(=O)CN3C=C(C=N3)NC(=O)CSC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C24H32N6O3S/c25-23(33)24(29-11-5-2-6-12-29)9-13-28(14-10-24)22(32)17-30-16-19(15-26-30)27-21(31)18-34-20-7-3-1-4-8-20/h1,3-4,7-8,15-16H,2,5-6,9-14,17-18H2,(H2,25,33)(H,27,31)/p+1