ethyl 5-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[[(2R)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]amino]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H30N3O4+ MolecularWeight: 388.4806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)NCC(C2=CC=CO2)[NH+]3CCCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)NC[C@H](C2=CC=CO2)[NH+]3CCCCC3)C

InChI

InChI=1S/C21H29N3O4/c1-4-27-21(26)18-14(2)19(23-15(18)3)20(25)22-13-16(17-9-8-12-28-17)24-10-6-5-7-11-24/h8-9,12,16,23H,4-7,10-11,13H2,1-3H3,(H,22,25)/p+1/t16-/m1/s1