2-methyl-3-nitro-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 2-methyl-3-nitro-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 2-methyl-3-nitro-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 2-methyl-3-nitro-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 2-methyl-3-nitro-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 2-methyl-3-nitro-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C21H26N3O3+ MolecularWeight: 368.44944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C21H25N3O3/c1-16-19(6-5-7-20(16)24(26)27)21(25)22-14-17-8-10-18(11-9-17)15-23-12-3-2-4-13-23/h5-11H,2-4,12-15H2,1H3,(H,22,25)/p+1