N-[1-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[1-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]-3,4-dimethoxy-benzamide Openeye Name: N-[1-[2-(2-furylmethylamino)-2-oxo-ethyl]piperidin-1-ium-4-yl]-3,4-dimethoxy-benzamide CAS Name: N-[1-[2-(2-furanylmethylamino)-2-oxoethyl]-4-piperidin-1-iumyl]-3,4-dimethoxybenzamide IUPAC Name: N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidin-1-ium-4-yl]-3,4-dimethoxybenzamide Traditional Name: N-[1-[2-(2-furfurylamino)-2-keto-ethyl]piperidin-1-ium-4-yl]-3,4-dimethoxy-benzamide Formula: C21H28N3O5+ MolecularWeight: 402.46412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2CC[NH+](CC2)CC(=O)NCC3=CC=CO3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2CC[NH+](CC2)CC(=O)NCC3=CC=CO3)OC

InChI

InChI=1S/C21H27N3O5/c1-27-18-6-5-15(12-19(18)28-2)21(26)23-16-7-9-24(10-8-16)14-20(25)22-13-17-4-3-11-29-17/h3-6,11-12,16H,7-10,13-14H2,1-2H3,(H,22,25)(H,23,26)/p+1