(4-cyclopentylpiperazin-4-ium-1-yl)-[4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]methanone

Systemtic Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]methanone Openeye Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxyphenyl]methanone CAS Name: (4-cyclopentyl-1-piperazin-4-iumyl)-[4-[[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]oxy]phenyl]methanone IUPAC Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]methanone Traditional Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxyphenyl]methanone Formula: C27H38N4O2+2 MolecularWeight: 450.61622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)OC4CC[NH+](CC4)CC5=CC=CC=N5

Isomeric SMILES

C1CCC(C1)[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)OC4CC[NH+](CC4)CC5=CC=CC=N5

InChI

InChI=1S/C27H36N4O2/c32-27(31-19-17-30(18-20-31)24-6-1-2-7-24)22-8-10-25(11-9-22)33-26-12-15-29(16-13-26)21-23-5-3-4-14-28-23/h3-5,8-11,14,24,26H,1-2,6-7,12-13,15-21H2/p+2