N-[1-oxidanidyl-1-pentyl-2-(phenylmethyl)pyrrolidin-1-ium-3-yl]quinoline-3-carboxamide

Systemtic Name: N-[1-oxidanidyl-1-pentyl-2-(phenylmethyl)pyrrolidin-1-ium-3-yl]quinoline-3-carboxamide Openeye Name: N-(2-benzyl-1-oxido-1-pentyl-pyrrolidin-1-ium-3-yl)quinoline-3-carboxamide CAS Name: N-[1-oxido-1-pentyl-2-(phenylmethyl)-3-pyrrolidin-1-iumyl]-3-quinolinecarboxamide IUPAC Name: N-(2-benzyl-1-oxido-1-pentylpyrrolidin-1-ium-3-yl)quinoline-3-carboxamide Traditional Name: N-(1-amyl-2-benzyl-1-oxido-pyrrolidin-1-ium-3-yl)quinoline-3-carboxamide Formula: C26H31N3O2 MolecularWeight: 417.54324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+]1(CCC(C1CC2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4N=C3)[O-]

Isomeric SMILES

CCCCC[N+]1(CCC(C1CC2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4N=C3)[O-]

InChI

InChI=1S/C26H31N3O2/c1-2-3-9-15-29(31)16-14-24(25(29)17-20-10-5-4-6-11-20)28-26(30)22-18-21-12-7-8-13-23(21)27-19-22/h4-8,10-13,18-19,24-25H,2-3,9,14-17H2,1H3,(H,28,30)