ethyl 6-[4-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[4-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-[2-(2-furylmethylamino)-2-oxo-ethyl]piperazin-4-ium-1-yl]pyridine-3-carboxylate CAS Name: 6-[4-[2-(2-furanylmethylamino)-2-oxoethyl]-1-piperazin-4-iumyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperazin-4-ium-1-yl]pyridine-3-carboxylate Traditional Name: 6-[4-[2-(2-furfurylamino)-2-keto-ethyl]piperazin-4-ium-1-yl]nicotinic acid ethyl ester Formula: C19H25N4O4+ MolecularWeight: 373.4262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)N2CC[NH+](CC2)CC(=O)NCC3=CC=CO3

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)N2CC[NH+](CC2)CC(=O)NCC3=CC=CO3

InChI

InChI=1S/C19H24N4O4/c1-2-26-19(25)15-5-6-17(20-12-15)23-9-7-22(8-10-23)14-18(24)21-13-16-4-3-11-27-16/h3-6,11-12H,2,7-10,13-14H2,1H3,(H,21,24)/p+1