4-chloranyl-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-2-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-2-nitro-benzamide Openeye Name: 4-chloro-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-2-nitro-benzamide CAS Name: 4-chloro-N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-2-nitrobenzamide IUPAC Name: 4-chloro-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-2-nitrobenzamide Traditional Name: 4-chloro-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-2-nitro-benzamide Formula: C16H23ClN3O3+ MolecularWeight: 340.82512

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H22ClN3O3/c1-12-5-2-3-9-19(12)10-4-8-18-16(21)14-7-6-13(17)11-15(14)20(22)23/h6-7,11-12H,2-5,8-10H2,1H3,(H,18,21)/p+1/t12-/m0/s1