4-ethanoyl-3,5-dimethyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide

Systemtic Name: 4-ethanoyl-3,5-dimethyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide Openeye Name: 4-acetyl-3,5-dimethyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide CAS Name: 4-acetyl-3,5-dimethyl-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-acetyl-3,5-dimethyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide Traditional Name: 4-acetyl-3,5-dimethyl-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]-1H-pyrrole-2-carboxamide Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)NCC2=CC=CC=C2C[NH+]3CCCCC3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)NCC2=CC=CC=C2C[NH+]3CCCCC3

InChI

InChI=1S/C22H29N3O2/c1-15-20(17(3)26)16(2)24-21(15)22(27)23-13-18-9-5-6-10-19(18)14-25-11-7-4-8-12-25/h5-6,9-10,24H,4,7-8,11-14H2,1-3H3,(H,23,27)/p+1