4-[(E)-3-oxidanylidene-3-[4-oxidanyl-3-(piperidin-1-ium-1-ylmethyl)phenyl]prop-1-enyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-3-oxidanylidene-3-[4-oxidanyl-3-(piperidin-1-ium-1-ylmethyl)phenyl]prop-1-enyl]benzenecarbonitrile Openeye Name: 4-[(E)-3-[4-hydroxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]-3-oxo-prop-1-enyl]benzonitrile CAS Name: 4-[(E)-3-[4-hydroxy-3-(1-piperidin-1-iumylmethyl)phenyl]-3-oxoprop-1-enyl]benzonitrile IUPAC Name: 4-[(E)-3-[4-hydroxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]-3-oxoprop-1-enyl]benzonitrile Traditional Name: 4-[(E)-3-[4-hydroxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]-3-keto-prop-1-enyl]benzonitrile Formula: C22H23N2O2+ MolecularWeight: 347.43022

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(C=CC(=C2)C(=O)C=CC3=CC=C(C=C3)C#N)O

Isomeric SMILES

C1CC[NH+](CC1)CC2=C(C=CC(=C2)C(=O)/C=C/C3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C22H22N2O2/c23-15-18-6-4-17(5-7-18)8-10-21(25)19-9-11-22(26)20(14-19)16-24-12-2-1-3-13-24/h4-11,14,26H,1-3,12-13,16H2/p+1/b10-8+