2-[[3-[1-[(2,5-dimethylphenyl)methyl]piperidin-1-ium-4-yl]oxy-4-methoxy-phenyl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[3-[1-[(2,5-dimethylphenyl)methyl]piperidin-1-ium-4-yl]oxy-4-methoxy-phenyl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-[1-[(2,5-dimethylphenyl)methyl]piperidin-1-ium-4-yl]oxy-4-methoxy-benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-[[1-[(2,5-dimethylphenyl)methyl]-4-piperidin-1-iumyl]oxy]-4-methoxyphenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3-[1-[(2,5-dimethylphenyl)methyl]piperidin-1-ium-4-yl]oxy-4-methoxybenzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[3-[1-(2,5-dimethylbenzyl)piperidin-1-ium-4-yl]oxy-4-methoxy-benzoyl]amino]ethyl-dimethyl-ammonium Formula: C26H39N3O3+2 MolecularWeight: 441.60616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C[NH+]2CCC(CC2)OC3=C(C=CC(=C3)C(=O)NCC[NH+](C)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)C[NH+]2CCC(CC2)OC3=C(C=CC(=C3)C(=O)NCC[NH+](C)C)OC

InChI

InChI=1S/C26H37N3O3/c1-19-6-7-20(2)22(16-19)18-29-13-10-23(11-14-29)32-25-17-21(8-9-24(25)31-5)26(30)27-12-15-28(3)4/h6-9,16-17,23H,10-15,18H2,1-5H3,(H,27,30)/p+2