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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-(2,2-dimethylpropyl)piperidin-1-ium-3-yl]piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-(2,2-dimethylpropyl)piperidin-1-ium-3-yl]piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-(2,2-dimethylpropyl)-3-piperidin-1-iumyl]piperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-(2,2-dimethylpropyl)piperidin-1-ium-3-yl]piperazin-1-ium Traditional Name: 1-[(3S)-1-neopentylpiperidin-1-ium-3-yl]-4-piperonyl-piperazin-4-ium Formula: C22H37N3O2+2 MolecularWeight: 375.54808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C[NH+]1CCCC(C1)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)C[NH+]1CCC[C@@H](C1)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H35N3O2/c1-22(2,3)16-24-8-4-5-19(15-24)25-11-9-23(10-12-25)14-18-6-7-20-21(13-18)27-17-26-20/h6-7,13,19H,4-5,8-12,14-17H2,1-3H3/p+2/t19-/m0/s1