4-[2-[4-(4-methoxyphenyl)carbonylpiperidin-1-ium-1-yl]ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-[4-(4-methoxyphenyl)carbonylpiperidin-1-ium-1-yl]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[4-(4-methoxybenzoyl)piperidin-1-ium-1-yl]ethoxy]benzonitrile CAS Name: 4-[2-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperidin-1-iumyl]ethoxy]benzonitrile IUPAC Name: 4-[2-[4-(4-methoxybenzoyl)piperidin-1-ium-1-yl]ethoxy]benzonitrile Traditional Name: 4-[2-(4-p-anisoylpiperidin-1-ium-1-yl)ethoxy]benzonitrile Formula: C22H25N2O3+ MolecularWeight: 365.4455

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2CC[NH+](CC2)CCOC3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2CC[NH+](CC2)CCOC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H24N2O3/c1-26-20-8-4-18(5-9-20)22(25)19-10-12-24(13-11-19)14-15-27-21-6-2-17(16-23)3-7-21/h2-9,19H,10-15H2,1H3/p+1