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

Systemtic Name: [1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-methyl-carbamic acid Openeye Name: [1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-methyl-carbamic acid CAS Name: [1-[3-[4-(4-cyanophenyl)phenoxy]propyl]-1-pyrrolidin-1-iumyl]-methylcarbamic acid IUPAC Name: [1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-methylcarbamic acid Traditional Name: [1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-methyl-carbamic acid Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)O)[N+]1(CCCC1)CCCOC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CN(C(=O)O)[N+]1(CCCC1)CCCOC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H25N3O3/c1-24(22(26)27)25(13-2-3-14-25)15-4-16-28-21-11-9-20(10-12-21)19-7-5-18(17-23)6-8-19/h5-12H,2-4,13-16H2,1H3/p+1