N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide Openeye Name: N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide CAS Name: N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-2-(1-pyrrolidinyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide Traditional Name: N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-2-pyrrolidino-pyridin-1-ium-3-carboxamide Formula: C22H30N4O+2 MolecularWeight: 366.4998

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3=C([NH+]=CC=C3)N4CCCC4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3=C([NH+]=CC=C3)N4CCCC4

InChI

InChI=1S/C22H28N4O/c27-22(20-6-5-11-23-21(20)26-14-3-4-15-26)24-16-18-7-9-19(10-8-18)17-25-12-1-2-13-25/h5-11H,1-4,12-17H2,(H,24,27)/p+2