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

Systemtic Name: 3-acetamido-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 3-acetamido-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 3-acetamido-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 3-acetamido-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 3-acetamido-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C21H26N3O2+ MolecularWeight: 352.45004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C21H25N3O2/c1-16(25)23-20-6-4-5-19(13-20)21(26)22-14-17-7-9-18(10-8-17)15-24-11-2-3-12-24/h4-10,13H,2-3,11-12,14-15H2,1H3,(H,22,26)(H,23,25)/p+1