1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-cyclopentylpiperidin-1-ium-3-yl]piperazin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-cyclopentylpiperidin-1-ium-3-yl]piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-cyclopentylpiperidin-1-ium-3-yl]piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-cyclopentyl-3-piperidin-1-iumyl]piperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-cyclopentylpiperidin-1-ium-3-yl]piperazin-1-ium Traditional Name: 1-[(3S)-1-cyclopentylpiperidin-1-ium-3-yl]-4-piperonyl-piperazin-4-ium Formula: C22H35N3O2+2 MolecularWeight: 373.5322

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCCC(C2)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(C1)[NH+]2CCC[C@@H](C2)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H33N3O2/c1-2-5-19(4-1)25-9-3-6-20(16-25)24-12-10-23(11-13-24)15-18-7-8-21-22(14-18)27-17-26-21/h7-8,14,19-20H,1-6,9-13,15-17H2/p+2/t20-/m0/s1