[1-[3-(4-phenethylphenoxy)propyl]pyridin-1-ium-4-yl]-phenyl-methanone

Systemtic Name: [1-[3-(4-phenethylphenoxy)propyl]pyridin-1-ium-4-yl]-phenyl-methanone Openeye Name: [1-[3-(4-phenethylphenoxy)propyl]pyridin-1-ium-4-yl]-phenyl-methanone CAS Name: [1-[3-(4-phenethylphenoxy)propyl]-4-pyridin-1-iumyl]-phenylmethanone IUPAC Name: [1-[3-(4-phenethylphenoxy)propyl]pyridin-1-ium-4-yl]-phenylmethanone Traditional Name: [1-[3-(4-phenethylphenoxy)propyl]pyridin-1-ium-4-yl]-phenyl-methanone Formula: C29H28NO2+ MolecularWeight: 422.53812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CC=C(C=C2)OCCC[N+]3=CC=C(C=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CC=C(C=C2)OCCC[N+]3=CC=C(C=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H28NO2/c31-29(26-10-5-2-6-11-26)27-18-21-30(22-19-27)20-7-23-32-28-16-14-25(15-17-28)13-12-24-8-3-1-4-9-24/h1-6,8-11,14-19,21-22H,7,12-13,20,23H2/q+1