N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-[[(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl]-2-piperidin-1-ium-1-yl-ethanamine

Systemtic Name: N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-[[(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl]-2-piperidin-1-ium-1-yl-ethanamine Openeye Name: N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-[[(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl]-2-piperidin-1-ium-1-yl-ethanamine CAS Name: N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-[[(3R)-1-cyclopentyl-3-piperidin-1-iumyl]methyl]-2-(1-piperidin-1-iumyl)ethanamine IUPAC Name: N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-[[(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl]-2-piperidin-1-ium-1-ylethanamine Traditional Name: benzofurazan-5-ylmethyl-[[(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl]-(2-piperidin-1-ium-1-ylethyl)amine Formula: C25H41N5O+2 MolecularWeight: 427.62594

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN(CC2CCC[NH+](C2)C3CCCC3)CC4=CC5=NON=C5C=C4

Isomeric SMILES

C1CC[NH+](CC1)CCN(C[C@H]2CCC[NH+](C2)C3CCCC3)CC4=CC5=NON=C5C=C4

InChI

InChI=1S/C25H39N5O/c1-4-12-28(13-5-1)15-16-29(18-21-10-11-24-25(17-21)27-31-26-24)19-22-7-6-14-30(20-22)23-8-2-3-9-23/h10-11,17,22-23H,1-9,12-16,18-20H2/p+2/t22-/m1/s1