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

Systemtic Name: 4-(dimethylamino)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-nitro-benzamide Openeye Name: 4-(dimethylamino)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-nitro-benzamide CAS Name: 4-(dimethylamino)-N-[[4-(4-morpholin-4-iumylmethyl)phenyl]methyl]-3-nitrobenzamide IUPAC Name: 4-(dimethylamino)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-nitrobenzamide Traditional Name: 4-(dimethylamino)-N-[4-(morpholin-4-ium-4-ylmethyl)benzyl]-3-nitro-benzamide Formula: C21H27N4O4+ MolecularWeight: 399.46348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O4/c1-23(2)19-8-7-18(13-20(19)25(27)28)21(26)22-14-16-3-5-17(6-4-16)15-24-9-11-29-12-10-24/h3-8,13H,9-12,14-15H2,1-2H3,(H,22,26)/p+1