[4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]phenyl]methylazanium

Systemtic Name: [4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]phenyl]methylazanium Openeye Name: [4-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]phenyl]methylammonium CAS Name: [4-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]phenyl]methylammonium IUPAC Name: [4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]phenyl]methylazanium Traditional Name: [4-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]benzyl]ammonium Formula: C21H29N3+2 MolecularWeight: 323.47506

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)CC3=CC=C(C=C3)C[NH3+]

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)CC3=CC=C(C=C3)C[NH3+]

InChI

InChI=1S/C21H27N3/c22-17-20-8-10-21(11-9-20)18-24-15-13-23(14-16-24)12-4-7-19-5-2-1-3-6-19/h1-11H,12-18,22H2/p+2/b7-4+