[(2S)-4-methyl-2-propan-2-yl-piperazin-4-ium-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]methanone

Systemtic Name: [(2S)-4-methyl-2-propan-2-yl-piperazin-4-ium-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]methanone Openeye Name: [(2S)-2-isopropyl-4-methyl-piperazin-4-ium-1-yl]-[4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxyphenyl]methanone CAS Name: [(2S)-4-methyl-2-propan-2-yl-1-piperazin-4-iumyl]-[4-[[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]oxy]phenyl]methanone IUPAC Name: [(2S)-4-methyl-2-propan-2-ylpiperazin-4-ium-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]methanone Traditional Name: [(2S)-2-isopropyl-4-methyl-piperazin-4-ium-1-yl]-[4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxyphenyl]methanone Formula: C26H38N4O2+2 MolecularWeight: 438.60552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C[NH+](CCN1C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC=CC=N4)C

Isomeric SMILES

CC(C)[C@H]1C[NH+](CCN1C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC=CC=N4)C

InChI

InChI=1S/C26H36N4O2/c1-20(2)25-19-28(3)16-17-30(25)26(31)21-7-9-23(10-8-21)32-24-11-14-29(15-12-24)18-22-6-4-5-13-27-22/h4-10,13,20,24-25H,11-12,14-19H2,1-3H3/p+2/t25-/m1/s1