4-methoxy-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-nitro-benzamide

Systemtic Name: 4-methoxy-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-nitro-benzamide Openeye Name: 4-methoxy-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-nitro-benzamide CAS Name: 4-methoxy-N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]-3-nitrobenzamide IUPAC Name: 4-methoxy-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-nitrobenzamide Traditional Name: 4-methoxy-N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]-3-nitro-benzamide Formula: C20H24N3O5+ MolecularWeight: 386.42166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5/c1-27-19-7-6-15(12-18(19)23(25)26)20(24)21-13-16-4-2-3-5-17(16)14-22-8-10-28-11-9-22/h2-7,12H,8-11,13-14H2,1H3,(H,21,24)/p+1