methyl 3-[[3-[1-(1-methylpiperidin-1-ium-4-yl)piperidin-4-yl]oxyphenyl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[3-[1-(1-methylpiperidin-1-ium-4-yl)piperidin-4-yl]oxyphenyl]carbonylamino]propanoate Openeye Name: methyl 3-[[3-[[1-(1-methylpiperidin-1-ium-4-yl)-4-piperidyl]oxy]benzoyl]amino]propanoate CAS Name: 3-[[[3-[[1-(1-methyl-4-piperidin-1-iumyl)-4-piperidinyl]oxy]phenyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[3-[1-(1-methylpiperidin-1-ium-4-yl)piperidin-4-yl]oxybenzoyl]amino]propanoate Traditional Name: 3-[[3-[[1-(1-methylpiperidin-1-ium-4-yl)-4-piperidyl]oxy]benzoyl]amino]propionic acid methyl ester Formula: C22H34N3O4+ MolecularWeight: 404.52306

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N2CCC(CC2)OC3=CC=CC(=C3)C(=O)NCCC(=O)OC

Isomeric SMILES

C[NH+]1CCC(CC1)N2CCC(CC2)OC3=CC=CC(=C3)C(=O)NCCC(=O)OC

InChI

InChI=1S/C22H33N3O4/c1-24-12-7-18(8-13-24)25-14-9-19(10-15-25)29-20-5-3-4-17(16-20)22(27)23-11-6-21(26)28-2/h3-5,16,18-19H,6-15H2,1-2H3,(H,23,27)/p+1