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

Systemtic Name: N-[1-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]-4-nitro-benzamide Openeye Name: N-[1-[2-(2-furylmethylamino)-2-oxo-ethyl]piperidin-1-ium-4-yl]-4-nitro-benzamide CAS Name: N-[1-[2-(2-furanylmethylamino)-2-oxoethyl]-4-piperidin-1-iumyl]-4-nitrobenzamide IUPAC Name: N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidin-1-ium-4-yl]-4-nitrobenzamide Traditional Name: N-[1-[2-(2-furfurylamino)-2-keto-ethyl]piperidin-1-ium-4-yl]-4-nitro-benzamide Formula: C19H23N4O5+ MolecularWeight: 387.40972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC(=O)NCC3=CC=CO3

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC(=O)NCC3=CC=CO3

InChI

InChI=1S/C19H22N4O5/c24-18(20-12-17-2-1-11-28-17)13-22-9-7-15(8-10-22)21-19(25)14-3-5-16(6-4-14)23(26)27/h1-6,11,15H,7-10,12-13H2,(H,20,24)(H,21,25)/p+1