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

Systemtic Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-4-nitro-benzamide Openeye Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-4-nitro-benzamide CAS Name: N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-4-nitrobenzamide IUPAC Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-4-nitrobenzamide Traditional Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-4-nitro-benzamide Formula: C16H24N3O3+ MolecularWeight: 306.38006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O3/c1-13-5-2-3-11-18(13)12-4-10-17-16(20)14-6-8-15(9-7-14)19(21)22/h6-9,13H,2-5,10-12H2,1H3,(H,17,20)/p+1/t13-/m0/s1