1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-3-yl]piperazin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-3-yl]piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-[(E)-cinnamyl]piperidin-1-ium-3-yl]piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-[(E)-3-phenylprop-2-enyl]-3-piperidin-1-iumyl]piperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-3-yl]piperazin-1-ium Traditional Name: 1-[(3S)-1-[(E)-cinnamyl]piperidin-1-ium-3-yl]-4-piperonyl-piperazin-4-ium Formula: C26H35N3O2+2 MolecularWeight: 421.575

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC=CC2=CC=CC=C2)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C/C=C/C2=CC=CC=C2)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H33N3O2/c1-2-6-22(7-3-1)8-4-12-27-13-5-9-24(20-27)29-16-14-28(15-17-29)19-23-10-11-25-26(18-23)31-21-30-25/h1-4,6-8,10-11,18,24H,5,9,12-17,19-21H2/p+2/b8-4+/t24-/m0/s1