diethyl-[(3S)-1-[4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]carbonylpyrrolidin-3-yl]azanium

Systemtic Name: diethyl-[(3S)-1-[4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]carbonylpyrrolidin-3-yl]azanium Openeye Name: diethyl-[(3S)-1-[4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxybenzoyl]pyrrolidin-3-yl]ammonium CAS Name: diethyl-[(3S)-1-[oxo-[4-[[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]oxy]phenyl]methyl]-3-pyrrolidinyl]ammonium IUPAC Name: diethyl-[(3S)-1-[4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxybenzoyl]pyrrolidin-3-yl]azanium Traditional Name: diethyl-[(3S)-1-[4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxybenzoyl]pyrrolidin-3-yl]ammonium Formula: C26H38N4O2+2 MolecularWeight: 438.60552

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C1CCN(C1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC=CC=N4

Isomeric SMILES

CC[NH+](CC)[C@H]1CCN(C1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC=CC=N4

InChI

InChI=1S/C26H36N4O2/c1-3-29(4-2)23-12-18-30(20-23)26(31)21-8-10-24(11-9-21)32-25-13-16-28(17-14-25)19-22-7-5-6-15-27-22/h5-11,15,23,25H,3-4,12-14,16-20H2,1-2H3/p+2/t23-/m0/s1