diethyl-[2-[[1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]ethyl]azanium

Systemtic Name: diethyl-[2-[[1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]ethyl]azanium Openeye Name: 2-[[1-[(3-benzyloxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]ethyl-diethyl-ammonium CAS Name: diethyl-[2-[[oxo-[1-[(3-phenylmethoxyphenyl)methyl]-4-piperidin-1-iumyl]methyl]amino]ethyl]ammonium IUPAC Name: diethyl-[2-[[1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]ethyl]azanium Traditional Name: 2-[[1-(3-benzoxybenzyl)piperidin-1-ium-4-carbonyl]amino]ethyl-diethyl-ammonium Formula: C26H39N3O2+2 MolecularWeight: 425.60676

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C1CC[NH+](CC1)CC2=CC(=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C1CC[NH+](CC1)CC2=CC(=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C26H37N3O2/c1-3-28(4-2)18-15-27-26(30)24-13-16-29(17-14-24)20-23-11-8-12-25(19-23)31-21-22-9-6-5-7-10-22/h5-12,19,24H,3-4,13-18,20-21H2,1-2H3,(H,27,30)/p+2