3,5-dimethyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 3,5-dimethyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 3,5-dimethyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 3,5-dimethyl-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 3,5-dimethyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 3,5-dimethyl-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C22H29N2O+ MolecularWeight: 337.47846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O/c1-17-12-18(2)14-21(13-17)22(25)23-15-19-6-8-20(9-7-19)16-24-10-4-3-5-11-24/h6-9,12-14H,3-5,10-11,15-16H2,1-2H3,(H,23,25)/p+1