N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-1-pyrrolidin-1-ium-1-yl-cyclopentane-1-carboxamide

Systemtic Name: N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-1-pyrrolidin-1-ium-1-yl-cyclopentane-1-carboxamide Openeye Name: N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-1-pyrrolidin-1-ium-1-yl-cyclopentanecarboxamide CAS Name: N-[[2-(dimethylamino)-3-pyridin-1-iumyl]methyl]-1-(1-pyrrolidin-1-iumyl)-1-cyclopentanecarboxamide IUPAC Name: N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-1-pyrrolidin-1-ium-1-ylcyclopentane-1-carboxamide Traditional Name: N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-1-pyrrolidin-1-ium-1-yl-cyclopentanecarboxamide Formula: C18H30N4O+2 MolecularWeight: 318.457

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=CC=[NH+]1)CNC(=O)C2(CCCC2)[NH+]3CCCC3

Isomeric SMILES

CN(C)C1=C(C=CC=[NH+]1)CNC(=O)C2(CCCC2)[NH+]3CCCC3

InChI

InChI=1S/C18H28N4O/c1-21(2)16-15(8-7-11-19-16)14-20-17(23)18(9-3-4-10-18)22-12-5-6-13-22/h7-8,11H,3-6,9-10,12-14H2,1-2H3,(H,20,23)/p+2