4-ethanoyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide

Systemtic Name: 4-ethanoyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide Openeye Name: 4-acetyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide CAS Name: 4-acetyl-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-acetyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide Traditional Name: 4-acetyl-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]-1H-pyrrole-2-carboxamide Formula: C20H26N3O2+ MolecularWeight: 340.43934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CNC(=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CC(=O)C1=CNC(=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C20H25N3O2/c1-15(24)18-11-19(21-13-18)20(25)22-12-16-5-7-17(8-6-16)14-23-9-3-2-4-10-23/h5-8,11,13,21H,2-4,9-10,12,14H2,1H3,(H,22,25)/p+1