1-(4-methylphenyl)sulfonyl-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]piperidine-4-carboxamide

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]piperidine-4-carboxamide Openeye Name: N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]piperidine-4-carboxamide Traditional Name: N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-1-tosyl-isonipecotamide Formula: C25H34N3O3S+ MolecularWeight: 456.62076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC(C3=CC=CC=C3)[NH+]4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC[C@@H](C3=CC=CC=C3)[NH+]4CCCC4

InChI

InChI=1S/C25H33N3O3S/c1-20-9-11-23(12-10-20)32(30,31)28-17-13-22(14-18-28)25(29)26-19-24(27-15-5-6-16-27)21-7-3-2-4-8-21/h2-4,7-12,22,24H,5-6,13-19H2,1H3,(H,26,29)/p+1/t24-/m0/s1