4-[(E)-3-oxidanylidene-3-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]prop-1-enyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-3-oxidanylidene-3-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]prop-1-enyl]benzenecarbonitrile Openeye Name: 4-[(E)-3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]prop-1-enyl]benzonitrile CAS Name: 4-[(E)-3-oxo-3-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]prop-1-enyl]benzonitrile IUPAC Name: 4-[(E)-3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]prop-1-enyl]benzonitrile Traditional Name: 4-[(E)-3-keto-3-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]prop-1-enyl]benzonitrile Formula: C20H25N4O2+ MolecularWeight: 353.4381

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C=CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)/C=C/C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H24N4O2/c21-15-18-5-3-17(4-6-18)7-8-19(25)24-13-11-22(12-14-24)16-20(26)23-9-1-2-10-23/h3-8H,1-2,9-14,16H2/p+1/b8-7+