N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-2-morpholino-5-nitro-benzamide Formula: C20H31N4O4+ MolecularWeight: 391.48454

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C20H30N4O4/c1-16-5-2-3-9-22(16)10-4-8-21-20(25)18-15-17(24(26)27)6-7-19(18)23-11-13-28-14-12-23/h6-7,15-16H,2-5,8-14H2,1H3,(H,21,25)/p+1/t16-/m0/s1