[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]carbamic acid

Systemtic Name: [1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]carbamic acid Openeye Name: [1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]carbamic acid CAS Name: [1-[3-[4-(4-cyanophenyl)phenoxy]propyl]-1-pyrrolidin-1-iumyl]carbamic acid IUPAC Name: [1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]carbamic acid Traditional Name: [1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]carbamic acid Formula: C21H24N3O3+ MolecularWeight: 366.43356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C1)(CCCOC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)NC(=O)O

Isomeric SMILES

C1CC[N+](C1)(CCCOC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)NC(=O)O

InChI

InChI=1S/C21H23N3O3/c22-16-17-4-6-18(7-5-17)19-8-10-20(11-9-19)27-15-3-14-24(23-21(25)26)12-1-2-13-24/h4-11,23H,1-3,12-15H2/p+1