4-(2-methylpropoxy)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzamide

Systemtic Name: 4-(2-methylpropoxy)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzamide Openeye Name: 4-isobutoxy-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzamide CAS Name: 4-(2-methylpropoxy)-N-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]benzamide IUPAC Name: 4-(2-methylpropoxy)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzamide Traditional Name: 4-isobutoxy-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzamide Formula: C22H29N2O2+ MolecularWeight: 353.47786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C22H28N2O2/c1-17(2)16-26-21-11-7-19(8-12-21)22(25)23-20-9-5-18(6-10-20)15-24-13-3-4-14-24/h5-12,17H,3-4,13-16H2,1-2H3,(H,23,25)/p+1