ethyl 6-[4-[(3-ethoxycarbonylfuran-2-yl)methyl]piperazin-4-ium-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[4-[(3-ethoxycarbonylfuran-2-yl)methyl]piperazin-4-ium-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-[(3-ethoxycarbonyl-2-furyl)methyl]piperazin-4-ium-1-yl]pyridine-3-carboxylate CAS Name: 6-[4-[(3-ethoxycarbonyl-2-furanyl)methyl]-1-piperazin-4-iumyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-[(3-ethoxycarbonylfuran-2-yl)methyl]piperazin-4-ium-1-yl]pyridine-3-carboxylate Traditional Name: 6-[4-[(3-carbethoxy-2-furyl)methyl]piperazin-4-ium-1-yl]nicotinic acid ethyl ester Formula: C20H26N3O5+ MolecularWeight: 388.43754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)N2CC[NH+](CC2)CC3=C(C=CO3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)N2CC[NH+](CC2)CC3=C(C=CO3)C(=O)OCC

InChI

InChI=1S/C20H25N3O5/c1-3-26-19(24)15-5-6-18(21-13-15)23-10-8-22(9-11-23)14-17-16(7-12-28-17)20(25)27-4-2/h5-7,12-13H,3-4,8-11,14H2,1-2H3/p+1