N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]furan-3-carboxamide

Systemtic Name: N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]furan-3-carboxamide Openeye Name: N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]furan-3-carboxamide CAS Name: N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]-3-furancarboxamide IUPAC Name: N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]furan-3-carboxamide Traditional Name: N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]-3-furamide Formula: C18H23N2O2+ MolecularWeight: 299.38742

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)C3=COC=C3

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)C3=COC=C3

InChI

InChI=1S/C18H22N2O2/c21-18(17-8-11-22-14-17)19-12-15-6-2-3-7-16(15)13-20-9-4-1-5-10-20/h2-3,6-8,11,14H,1,4-5,9-10,12-13H2,(H,19,21)/p+1