N-(1,3-benzodioxol-4-ylmethyl)-N-[[(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl]-2-piperidin-1-ium-1-yl-ethanamine

Systemtic Name: N-(1,3-benzodioxol-4-ylmethyl)-N-[[(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl]-2-piperidin-1-ium-1-yl-ethanamine Openeye Name: N-(1,3-benzodioxol-4-ylmethyl)-N-[[(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl]-2-piperidin-1-ium-1-yl-ethanamine CAS Name: N-(1,3-benzodioxol-4-ylmethyl)-N-[[(3R)-1-cyclopentyl-3-piperidin-1-iumyl]methyl]-2-(1-piperidin-1-iumyl)ethanamine IUPAC Name: N-(1,3-benzodioxol-4-ylmethyl)-N-[[(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl]-2-piperidin-1-ium-1-ylethanamine Traditional Name: 1,3-benzodioxol-4-ylmethyl-[[(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl]-(2-piperidin-1-ium-1-ylethyl)amine Formula: C26H43N3O2+2 MolecularWeight: 429.63852

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN(CC2CCC[NH+](C2)C3CCCC3)CC4=C5C(=CC=C4)OCO5

Isomeric SMILES

C1CC[NH+](CC1)CCN(C[C@H]2CCC[NH+](C2)C3CCCC3)CC4=C5C(=CC=C4)OCO5

InChI

InChI=1S/C26H41N3O2/c1-4-13-27(14-5-1)16-17-28(20-23-9-6-12-25-26(23)31-21-30-25)18-22-8-7-15-29(19-22)24-10-2-3-11-24/h6,9,12,22,24H,1-5,7-8,10-11,13-21H2/p+2/t22-/m1/s1