ethyl 4-[2-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[1-(2-furylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-[1-(2-furfuryl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C20H28N3O4+ MolecularWeight: 374.45402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)C2=C(N(C(=C2)C)CC3=CC=CO3)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)C2=C(N(C(=C2)C)CC3=CC=CO3)C

InChI

InChI=1S/C20H27N3O4/c1-4-26-20(25)22-9-7-21(8-10-22)14-19(24)18-12-15(2)23(16(18)3)13-17-6-5-11-27-17/h5-6,11-12H,4,7-10,13-14H2,1-3H3/p+1