N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-6-nitro-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-6-nitro-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-6-nitro-1,3-benzodioxole-5-carboxamide CAS Name: N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]-6-nitro-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-6-nitro-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]-6-nitro-piperonylamide Formula: C20H22N3O6+ MolecularWeight: 400.40518

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=CC=C2CNC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

C1COCC[NH+]1CC2=CC=CC=C2CNC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C20H21N3O6/c24-20(16-9-18-19(29-13-28-18)10-17(16)23(25)26)21-11-14-3-1-2-4-15(14)12-22-5-7-27-8-6-22/h1-4,9-10H,5-8,11-13H2,(H,21,24)/p+1