4-chloranyl-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-nitro-benzamide Formula: C21H25ClN3O4+ MolecularWeight: 418.8939

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])[NH+]3CCCCC3

InChI

InChI=1S/C21H24ClN3O4/c1-29-17-8-5-15(6-9-17)20(24-11-3-2-4-12-24)14-23-21(26)16-7-10-18(22)19(13-16)25(27)28/h5-10,13,20H,2-4,11-12,14H2,1H3,(H,23,26)/p+1/t20-/m0/s1