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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-(2-methylpropyl)piperidin-1-ium-3-yl]piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-isobutylpiperidin-1-ium-3-yl]piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-(2-methylpropyl)-3-piperidin-1-iumyl]piperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-(2-methylpropyl)piperidin-1-ium-3-yl]piperazin-1-ium Traditional Name: 1-[(3S)-1-isobutylpiperidin-1-ium-3-yl]-4-piperonyl-piperazin-4-ium Formula: C21H35N3O2+2 MolecularWeight: 361.5215

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O2/c1-17(2)13-23-7-3-4-19(15-23)24-10-8-22(9-11-24)14-18-5-6-20-21(12-18)26-16-25-20/h5-6,12,17,19H,3-4,7-11,13-16H2,1-2H3/p+2/t19-/m0/s1