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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperazine-1,4-diium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(E)-3-(2-methoxyphenyl)allyl]piperazine-1,4-diium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperazine-1,4-diium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperazine-1,4-diium Traditional Name: 1-[(E)-3-(2-methoxyphenyl)allyl]-4-piperonyl-piperazine-1,4-diium Formula: C22H28N2O3+2 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC=C1/C=C/C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H26N2O3/c1-25-20-7-3-2-5-19(20)6-4-10-23-11-13-24(14-12-23)16-18-8-9-21-22(15-18)27-17-26-21/h2-9,15H,10-14,16-17H2,1H3/p+2/b6-4+