4-butoxy-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzamide

Systemtic Name: 4-butoxy-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzamide Openeye Name: 4-butoxy-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzamide CAS Name: 4-butoxy-N-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]benzamide IUPAC Name: 4-butoxy-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzamide Traditional Name: 4-butoxy-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzamide Formula: C22H29N2O2+ MolecularWeight: 353.47786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C22H28N2O2/c1-2-3-16-26-21-12-8-19(9-13-21)22(25)23-20-10-6-18(7-11-20)17-24-14-4-5-15-24/h6-13H,2-5,14-17H2,1H3,(H,23,25)/p+1