dimethyl-[3-[[1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[[1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]propyl]azanium Openeye Name: 3-[[1-[(3-benzyloxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]propyl-dimethyl-ammonium CAS Name: dimethyl-[3-[[oxo-[1-[(3-phenylmethoxyphenyl)methyl]-4-piperidin-1-iumyl]methyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]propyl]azanium Traditional Name: 3-[[1-(3-benzoxybenzyl)piperidin-1-ium-4-carbonyl]amino]propyl-dimethyl-ammonium Formula: C25H37N3O2+2 MolecularWeight: 411.58018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N3O2/c1-27(2)15-7-14-26-25(29)23-12-16-28(17-13-23)19-22-10-6-11-24(18-22)30-20-21-8-4-3-5-9-21/h3-6,8-11,18,23H,7,12-17,19-20H2,1-2H3,(H,26,29)/p+2