1H-indol-5-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: 1H-indol-5-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Openeye Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-(1H-indol-5-yl)methanone CAS Name: 1H-indol-5-yl-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methanone IUPAC Name: 1H-indol-5-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Traditional Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-(1H-indol-5-yl)methanone Formula: C22H24N3O+ MolecularWeight: 346.44546

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)NC=C4

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)NC=C4

InChI

InChI=1S/C22H23N3O/c26-22(20-8-9-21-19(17-20)10-11-23-21)25-15-13-24(14-16-25)12-4-7-18-5-2-1-3-6-18/h1-11,17,23H,12-16H2/p+1/b7-4+