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

Systemtic Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide Openeye Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide CAS Name: N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-2-(1-pyrrolidinyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide Traditional Name: N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]-2-pyrrolidino-pyridin-1-ium-3-carboxamide Formula: C23H32N4O+2 MolecularWeight: 380.52638

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=C([NH+]=CC=C3)N4CCCC4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=C([NH+]=CC=C3)N4CCCC4

InChI

InChI=1S/C23H30N4O/c28-23(21-7-6-12-24-22(21)27-15-4-5-16-27)25-17-19-8-10-20(11-9-19)18-26-13-2-1-3-14-26/h6-12H,1-5,13-18H2,(H,25,28)/p+2