4-cyano-N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-N-methyl-benzamide

Systemtic Name: 4-cyano-N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-N-methyl-benzamide Openeye Name: 4-cyano-N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-N-methyl-benzamide CAS Name: 4-cyano-N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]-1-pyrrolidin-1-iumyl]-N-methylbenzamide IUPAC Name: 4-cyano-N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-N-methylbenzamide Traditional Name: 4-cyano-N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-N-methyl-benzamide Formula: C29H29N4O2+ MolecularWeight: 465.56616

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)C1=CC=C(C=C1)C#N)[N+]2(CCCC2)CCCOC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

CN(C(=O)C1=CC=C(C=C1)C#N)[N+]2(CCCC2)CCCOC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C29H29N4O2/c1-32(29(34)27-11-7-24(22-31)8-12-27)33(17-2-3-18-33)19-4-20-35-28-15-13-26(14-16-28)25-9-5-23(21-30)6-10-25/h5-16H,2-4,17-20H2,1H3/q+1