N-(2,5-dimethylphenyl)-4-(piperidin-1-ium-1-ylmethyl)benzamide

Systemtic Name: N-(2,5-dimethylphenyl)-4-(piperidin-1-ium-1-ylmethyl)benzamide Openeye Name: N-(2,5-dimethylphenyl)-4-(piperidin-1-ium-1-ylmethyl)benzamide CAS Name: N-(2,5-dimethylphenyl)-4-(1-piperidin-1-iumylmethyl)benzamide IUPAC Name: N-(2,5-dimethylphenyl)-4-(piperidin-1-ium-1-ylmethyl)benzamide Traditional Name: N-(2,5-dimethylphenyl)-4-(piperidin-1-ium-1-ylmethyl)benzamide Formula: C21H27N2O+ MolecularWeight: 323.45188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C21H26N2O/c1-16-6-7-17(2)20(14-16)22-21(24)19-10-8-18(9-11-19)15-23-12-4-3-5-13-23/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,22,24)/p+1