3-methyl-N-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methyl]-2-nitro-benzamide

Systemtic Name: 3-methyl-N-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methyl]-2-nitro-benzamide Openeye Name: 3-methyl-N-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methyl]-2-nitro-benzamide CAS Name: 3-methyl-N-[[4-[(4-methyl-1-piperidin-1-iumyl)methyl]phenyl]methyl]-2-nitrobenzamide IUPAC Name: 3-methyl-N-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methyl]-2-nitrobenzamide Traditional Name: 3-methyl-N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]benzyl]-2-nitro-benzamide Formula: C22H28N3O3+ MolecularWeight: 382.47602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=C(C(=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=C(C(=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O3/c1-16-10-12-24(13-11-16)15-19-8-6-18(7-9-19)14-23-22(26)20-5-3-4-17(2)21(20)25(27)28/h3-9,16H,10-15H2,1-2H3,(H,23,26)/p+1