[4-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)amino]-3-nitro-phenyl]-phenyl-methanone

Systemtic Name: [4-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)amino]-3-nitro-phenyl]-phenyl-methanone Openeye Name: [4-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)amino]-3-nitro-phenyl]-phenyl-methanone CAS Name: [4-[[2-methyl-2-(4-morpholin-4-iumyl)propyl]amino]-3-nitrophenyl]-phenylmethanone IUPAC Name: [4-[(2-methyl-2-morpholin-4-ium-4-ylpropyl)amino]-3-nitrophenyl]-phenylmethanone Traditional Name: [4-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)amino]-3-nitro-phenyl]-phenyl-methanone Formula: C21H26N3O4+ MolecularWeight: 384.44884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)[N+](=O)[O-])[NH+]3CCOCC3

Isomeric SMILES

CC(C)(CNC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)[N+](=O)[O-])[NH+]3CCOCC3

InChI

InChI=1S/C21H25N3O4/c1-21(2,23-10-12-28-13-11-23)15-22-18-9-8-17(14-19(18)24(26)27)20(25)16-6-4-3-5-7-16/h3-9,14,22H,10-13,15H2,1-2H3/p+1