N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[(2R)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: [(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-(4-mesyl-2-nitro-phenyl)amine Formula: C18H24N3O5S+ MolecularWeight: 394.46526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O5S/c1-27(24,25)14-7-8-15(16(12-14)21(22)23)19-13-17(18-6-5-11-26-18)20-9-3-2-4-10-20/h5-8,11-12,17,19H,2-4,9-10,13H2,1H3/p+1/t17-/m1/s1