N-(furan-2-ylmethyl)-1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(furan-2-ylmethyl)-1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3-benzyloxyphenyl)methyl]-N-(2-furylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-(2-furanylmethyl)-1-[(3-phenylmethoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(furan-2-ylmethyl)-1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(3-benzoxybenzyl)-N-(2-furfuryl)piperidin-1-ium-4-carboxamide Formula: C25H29N2O3+ MolecularWeight: 405.50936

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NCC2=CC=CO2)CC3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NCC2=CC=CO2)CC3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H28N2O3/c28-25(26-17-24-10-5-15-29-24)22-11-13-27(14-12-22)18-21-8-4-9-23(16-21)30-19-20-6-2-1-3-7-20/h1-10,15-16,22H,11-14,17-19H2,(H,26,28)/p+1