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

Systemtic Name: N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide Openeye Name: N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide CAS Name: N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide IUPAC Name: N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide Traditional Name: N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-1H-pyrrole-2-carboxamide Formula: C17H22N3O+ MolecularWeight: 284.37608

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3=CC=CN3

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3=CC=CN3

InChI

InChI=1S/C17H21N3O/c21-17(16-4-3-9-18-16)19-12-14-5-7-15(8-6-14)13-20-10-1-2-11-20/h3-9,18H,1-2,10-13H2,(H,19,21)/p+1