4-methoxy-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-3-nitro-benzamide

Systemtic Name: 4-methoxy-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-3-nitro-benzamide Openeye Name: 4-methoxy-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-3-nitro-benzamide CAS Name: 4-methoxy-N-[4-(4-morpholin-4-iumylmethyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-methoxy-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-3-nitrobenzamide Traditional Name: 4-methoxy-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-3-nitro-benzamide Formula: C19H22N3O5+ MolecularWeight: 372.39508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C[NH+]3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C[NH+]3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5/c1-26-18-7-4-15(12-17(18)22(24)25)19(23)20-16-5-2-14(3-6-16)13-21-8-10-27-11-9-21/h2-7,12H,8-11,13H2,1H3,(H,20,23)/p+1