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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C=CC2=CC=C(C=C2)C#N)C[NH+]3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)C#N)C[NH+]3CCCC3

InChI

InChI=1S/C22H22N2O2/c1-26-22-11-9-19(14-20(22)16-24-12-2-3-13-24)21(25)10-8-17-4-6-18(15-23)7-5-17/h4-11,14H,2-3,12-13,16H2,1H3/p+1/b10-8+