2-[[4-methoxy-3-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]oxy-phenyl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[4-methoxy-3-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]oxy-phenyl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-methoxy-3-[1-(o-tolylmethyl)piperidin-1-ium-4-yl]oxy-benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[4-methoxy-3-[[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]oxy]phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-methoxy-3-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]oxybenzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[4-methoxy-3-[1-(2-methylbenzyl)piperidin-1-ium-4-yl]oxy-benzoyl]amino]ethyl-dimethyl-ammonium Formula: C25H37N3O3+2 MolecularWeight: 427.57958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(CC2)OC3=C(C=CC(=C3)C(=O)NCC[NH+](C)C)OC

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(CC2)OC3=C(C=CC(=C3)C(=O)NCC[NH+](C)C)OC

InChI

InChI=1S/C25H35N3O3/c1-19-7-5-6-8-21(19)18-28-14-11-22(12-15-28)31-24-17-20(9-10-23(24)30-4)25(29)26-13-16-27(2)3/h5-10,17,22H,11-16,18H2,1-4H3,(H,26,29)/p+2