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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperazine-1,4-diium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(E)-2-methyl-3-phenyl-allyl]piperazine-1,4-diium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine-1,4-diium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine-1,4-diium Traditional Name: 1-[(E)-2-methyl-3-phenyl-allyl]-4-piperonyl-piperazine-1,4-diium Formula: C22H28N2O2+2 MolecularWeight: 352.46992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/C[NH+]2CC[NH+](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+2/b18-13+