methyl 5-[(1S)-1-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[(1S)-1-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethyl]furan-2-carboxylate Openeye Name: methyl 5-[(1S)-1-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethyl]furan-2-carboxylate CAS Name: 5-[(1S)-1-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]ethyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(1S)-1-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethyl]furan-2-carboxylate Traditional Name: 5-[(1S)-1-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethyl]furan-2-carboxylic acid methyl ester Formula: C18H22N3O5+ MolecularWeight: 360.38438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(O1)C(=O)OC)[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C1=CC=C(O1)C(=O)OC)[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5/c1-13(16-7-8-17(26-16)18(22)25-2)19-9-11-20(12-10-19)14-3-5-15(6-4-14)21(23)24/h3-8,13H,9-12H2,1-2H3/p+1/t13-/m0/s1