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

Systemtic Name: 1-[2-[furan-2-ylmethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[benzyl(2-furylmethyl)amino]-2-oxo-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[2-furanylmethyl-(phenylmethyl)amino]-2-oxoethyl]-N-(2-hydroxyphenyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[benzyl(2-furfuryl)amino]-2-keto-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Formula: C26H30N3O4+ MolecularWeight: 448.5341

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2O)CC(=O)N(CC3=CC=CC=C3)CC4=CC=CO4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2O)CC(=O)N(CC3=CC=CC=C3)CC4=CC=CO4

InChI

InChI=1S/C26H29N3O4/c30-24-11-5-4-10-23(24)27-26(32)21-12-14-28(15-13-21)19-25(31)29(18-22-9-6-16-33-22)17-20-7-2-1-3-8-20/h1-11,16,21,30H,12-15,17-19H2,(H,27,32)/p+1