1-methylsulfonyl-N-[[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]phenyl]methyl]piperidine-4-carboxamide

Systemtic Name: 1-methylsulfonyl-N-[[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]phenyl]methyl]piperidine-4-carboxamide Openeye Name: 1-methylsulfonyl-N-[[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]phenyl]methyl]piperidine-4-carboxamide CAS Name: 1-methylsulfonyl-N-[[2-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-methylsulfonyl-N-[[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]phenyl]methyl]piperidine-4-carboxamide Traditional Name: 1-mesyl-N-[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzyl]isonipecotamide Formula: C25H34N3O3S+ MolecularWeight: 456.62076

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)NCC2=CC=CC=C2C3=CC=C(C=C3)C[NH+]4CCCC4

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)NCC2=CC=CC=C2C3=CC=C(C=C3)C[NH+]4CCCC4

InChI

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