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

Systemtic Name: 3-acetamido-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 3-acetamido-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 3-acetamido-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 3-acetamido-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 3-acetamido-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C22H27N3O2/c1-17(26)24-21-7-5-6-20(14-21)22(27)23-15-18-8-10-19(11-9-18)16-25-12-3-2-4-13-25/h5-11,14H,2-4,12-13,15-16H2,1H3,(H,23,27)(H,24,26)/p+1