1-[2-[furan-2-ylmethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[furan-2-ylmethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[benzyl(2-furylmethyl)amino]-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[2-furanylmethyl-(phenylmethyl)amino]-2-oxoethyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[benzyl(2-furfuryl)amino]-2-keto-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C26H30N3O3+ MolecularWeight: 432.5347

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CC(=O)N(CC3=CC=CC=C3)CC4=CC=CO4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CC(=O)N(CC3=CC=CC=C3)CC4=CC=CO4

InChI

InChI=1S/C26H29N3O3/c30-25(29(19-24-12-7-17-32-24)18-21-8-3-1-4-9-21)20-28-15-13-22(14-16-28)26(31)27-23-10-5-2-6-11-23/h1-12,17,22H,13-16,18-20H2,(H,27,31)/p+1