1-(anthracen-9-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium

Systemtic Name: 1-(anthracen-9-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Openeye Name: 1-(9-anthrylmethyl)-4-[(E)-cinnamyl]piperazin-4-ium CAS Name: 1-(9-anthracenylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium IUPAC Name: 1-(anthracen-9-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Traditional Name: 1-(9-anthrylmethyl)-4-[(E)-cinnamyl]piperazin-4-ium Formula: C28H29N2+ MolecularWeight: 393.54326

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)CC3=C4C=CC=CC4=CC5=CC=CC=C53

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)CC3=C4C=CC=CC4=CC5=CC=CC=C53

InChI

InChI=1S/C28H28N2/c1-2-9-23(10-3-1)11-8-16-29-17-19-30(20-18-29)22-28-26-14-6-4-12-24(26)21-25-13-5-7-15-27(25)28/h1-15,21H,16-20,22H2/p+1/b11-8+