4-[4-[[1-[(4-methoxyphenyl)methyl]-1-oxidanidyl-pyrrolidin-1-ium-2-yl]methoxy]phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-[[1-[(4-methoxyphenyl)methyl]-1-oxidanidyl-pyrrolidin-1-ium-2-yl]methoxy]phenyl]benzenecarbonitrile Openeye Name: 4-[4-[[1-[(4-methoxyphenyl)methyl]-1-oxido-pyrrolidin-1-ium-2-yl]methoxy]phenyl]benzonitrile CAS Name: 4-[4-[[1-[(4-methoxyphenyl)methyl]-1-oxido-2-pyrrolidin-1-iumyl]methoxy]phenyl]benzonitrile IUPAC Name: 4-[4-[[1-[(4-methoxyphenyl)methyl]-1-oxidopyrrolidin-1-ium-2-yl]methoxy]phenyl]benzonitrile Traditional Name: 4-[4-[(1-oxido-1-p-anisyl-pyrrolidin-1-ium-2-yl)methoxy]phenyl]benzonitrile Formula: C26H26N2O3 MolecularWeight: 414.49624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[N+]2(CCCC2COC3=CC=C(C=C3)C4=CC=C(C=C4)C#N)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C[N+]2(CCCC2COC3=CC=C(C=C3)C4=CC=C(C=C4)C#N)[O-]

InChI

InChI=1S/C26H26N2O3/c1-30-25-12-6-21(7-13-25)18-28(29)16-2-3-24(28)19-31-26-14-10-23(11-15-26)22-8-4-20(17-27)5-9-22/h4-15,24H,2-3,16,18-19H2,1H3