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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2CC[NH+](CC2)CC(=O)NCC3=CC=CO3

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2CC[NH+](CC2)CC(=O)NCC3=CC=CO3

InChI

InChI=1S/C20H25N3O3/c1-15-5-2-3-7-18(15)20(25)22-16-8-10-23(11-9-16)14-19(24)21-13-17-6-4-12-26-17/h2-7,12,16H,8-11,13-14H2,1H3,(H,21,24)(H,22,25)/p+1