N-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide

Systemtic Name: N-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Openeye Name: N-[2-(2-furylmethylamino)-2-oxo-ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide CAS Name: N-[2-(2-furanylmethylamino)-2-oxoethyl]-4-(1-piperidin-1-iumylmethyl)benzamide IUPAC Name: N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Traditional Name: N-[2-(2-furfurylamino)-2-keto-ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Formula: C20H26N3O3+ MolecularWeight: 356.43874

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)NCC(=O)NCC3=CC=CO3

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)NCC(=O)NCC3=CC=CO3

InChI

InChI=1S/C20H25N3O3/c24-19(21-13-18-5-4-12-26-18)14-22-20(25)17-8-6-16(7-9-17)15-23-10-2-1-3-11-23/h4-9,12H,1-3,10-11,13-15H2,(H,21,24)(H,22,25)/p+1