N-[3-(furan-2-yl)phenyl]-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-[3-(furan-2-yl)phenyl]-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-[3-(2-furyl)phenyl]-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-[3-(2-furanyl)phenyl]-1-(1H-imidazol-2-ylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-[3-(furan-2-yl)phenyl]-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: N-[3-(2-furyl)phenyl]-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-4-carboxamide Formula: C20H23N4O2+ MolecularWeight: 351.42222

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CC=CO3)CC4=NC=CN4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CC=CO3)CC4=NC=CN4

InChI

InChI=1S/C20H22N4O2/c25-20(15-6-10-24(11-7-15)14-19-21-8-9-22-19)23-17-4-1-3-16(13-17)18-5-2-12-26-18/h1-5,8-9,12-13,15H,6-7,10-11,14H2,(H,21,22)(H,23,25)/p+1