1-(1,3-benzodioxol-5-ylmethyl)-4-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperazin-4-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperazin-4-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(E)-2-methyl-3-phenyl-allyl]piperazin-4-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-4-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-4-ium Traditional Name: 1-[(E)-2-methyl-3-phenyl-allyl]-4-piperonyl-piperazin-1-ium Formula: C22H27N2O2+ MolecularWeight: 351.46198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H26N2O2/c1-18(13-19-5-3-2-4-6-19)15-23-9-11-24(12-10-23)16-20-7-8-21-22(14-20)26-17-25-21/h2-8,13-14H,9-12,15-17H2,1H3/p+1/b18-13+