1-[4-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]amino]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]amino]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]amino]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[[(2R)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]amino]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]amino]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]amino]-3-nitro-phenyl]ethanone Formula: C19H24N3O4+ MolecularWeight: 358.41156

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)NCC(C2=CC=CO2)[NH+]3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O4/c1-14(23)15-7-8-16(17(12-15)22(24)25)20-13-18(19-6-5-11-26-19)21-9-3-2-4-10-21/h5-8,11-12,18,20H,2-4,9-10,13H2,1H3/p+1/t18-/m1/s1