N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-3-methyl-4-nitro-benzamide

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-3-methyl-4-nitro-benzamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-3-methyl-4-nitro-benzamide Formula: C19H24N3O4+ MolecularWeight: 358.41156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCC(C2=CC=CO2)[NH+]3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC[C@@H](C2=CC=CO2)[NH+]3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O4/c1-14-12-15(7-8-16(14)22(24)25)19(23)20-13-17(18-6-5-11-26-18)21-9-3-2-4-10-21/h5-8,11-12,17H,2-4,9-10,13H2,1H3,(H,20,23)/p+1/t17-/m0/s1