2-methoxy-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-5-nitro-benzamide

Systemtic Name: 2-methoxy-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-5-nitro-benzamide Openeye Name: 2-methoxy-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-5-nitro-benzamide CAS Name: 2-methoxy-N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-5-nitrobenzamide IUPAC Name: 2-methoxy-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-5-nitrobenzamide Traditional Name: 2-methoxy-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-5-nitro-benzamide Formula: C17H26N3O4+ MolecularWeight: 336.40604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O4/c1-13-6-3-4-10-19(13)11-5-9-18-17(21)15-12-14(20(22)23)7-8-16(15)24-2/h7-8,12-13H,3-6,9-11H2,1-2H3,(H,18,21)/p+1/t13-/m0/s1