1-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-N-(2-methoxyphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-N-(2-methoxyphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(2-furylmethylamino)-2-oxo-ethyl]-N-(2-methoxyphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(2-furanylmethylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(2-methoxyphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(2-furfurylamino)-2-keto-ethyl]-N-(2-methoxyphenyl)piperidin-1-ium-4-carboxamide Formula: C20H26N3O4+ MolecularWeight: 372.43814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2CC[NH+](CC2)CC(=O)NCC3=CC=CO3

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2CC[NH+](CC2)CC(=O)NCC3=CC=CO3

InChI

InChI=1S/C20H25N3O4/c1-26-18-7-3-2-6-17(18)22-20(25)15-8-10-23(11-9-15)14-19(24)21-13-16-5-4-12-27-16/h2-7,12,15H,8-11,13-14H2,1H3,(H,21,24)(H,22,25)/p+1