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

Systemtic Name: methyl 5-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H28N3O4+ MolecularWeight: 374.45402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)NCC(C2=CC=CO2)[NH+]3CCCCC3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)NC[C@H](C2=CC=CO2)[NH+]3CCCCC3

InChI

InChI=1S/C20H27N3O4/c1-13-17(20(25)26-3)14(2)22-18(13)19(24)21-12-15(16-8-7-11-27-16)23-9-5-4-6-10-23/h7-8,11,15,22H,4-6,9-10,12H2,1-3H3,(H,21,24)/p+1/t15-/m1/s1