4-cyano-N-[1-[3-(4-ethanoylphenoxy)propyl]pyrrolidin-1-ium-1-yl]benzamide

Systemtic Name: 4-cyano-N-[1-[3-(4-ethanoylphenoxy)propyl]pyrrolidin-1-ium-1-yl]benzamide Openeye Name: N-[1-[3-(4-acetylphenoxy)propyl]pyrrolidin-1-ium-1-yl]-4-cyano-benzamide CAS Name: N-[1-[3-(4-acetylphenoxy)propyl]-1-pyrrolidin-1-iumyl]-4-cyanobenzamide IUPAC Name: N-[1-[3-(4-acetylphenoxy)propyl]pyrrolidin-1-ium-1-yl]-4-cyanobenzamide Traditional Name: N-[1-[3-(4-acetylphenoxy)propyl]pyrrolidin-1-ium-1-yl]-4-cyano-benzamide Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCCC[N+]2(CCCC2)NC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCCC[N+]2(CCCC2)NC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H25N3O3/c1-18(27)20-9-11-22(12-10-20)29-16-4-15-26(13-2-3-14-26)25-23(28)21-7-5-19(17-24)6-8-21/h5-12H,2-4,13-16H2,1H3/p+1