methyl 3-[[1-[1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[1-[1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[1-[1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carbonyl]amino]propanoate CAS Name: 3-[[[1-[1-[(6-methyl-2-pyridinyl)methyl]-4-piperidin-1-iumyl]-4-piperidin-1-iumyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[1-[1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carbonyl]amino]propanoate Traditional Name: 3-[[1-[1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carbonyl]amino]propionic acid methyl ester Formula: C22H36N4O3+2 MolecularWeight: 404.54624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)NCCC(=O)OC

Isomeric SMILES

CC1=NC(=CC=C1)C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)NCCC(=O)OC

InChI

InChI=1S/C22H34N4O3/c1-17-4-3-5-19(24-17)16-25-12-9-20(10-13-25)26-14-7-18(8-15-26)22(28)23-11-6-21(27)29-2/h3-5,18,20H,6-16H2,1-2H3,(H,23,28)/p+2