methyl (4S)-4-[4-[4-(pyridin-3-ylmethylcarbamoyl)piperidin-1-ium-1-yl]piperidin-1-ium-1-yl]pentanoate

Systemtic Name: methyl (4S)-4-[4-[4-(pyridin-3-ylmethylcarbamoyl)piperidin-1-ium-1-yl]piperidin-1-ium-1-yl]pentanoate Openeye Name: methyl (4S)-4-[4-[4-(3-pyridylmethylcarbamoyl)piperidin-1-ium-1-yl]piperidin-1-ium-1-yl]pentanoate CAS Name: (4S)-4-[4-[4-[oxo-(3-pyridinylmethylamino)methyl]-1-piperidin-1-iumyl]-1-piperidin-1-iumyl]pentanoic acid methyl ester IUPAC Name: methyl (4S)-4-[4-[4-(pyridin-3-ylmethylcarbamoyl)piperidin-1-ium-1-yl]piperidin-1-ium-1-yl]pentanoate Traditional Name: (4S)-4-[4-[4-(3-pyridylmethylcarbamoyl)piperidin-1-ium-1-yl]piperidin-1-ium-1-yl]valeric acid methyl ester Formula: C23H38N4O3+2 MolecularWeight: 418.57282

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)OC)[NH+]1CCC(CC1)[NH+]2CCC(CC2)C(=O)NCC3=CN=CC=C3

Isomeric SMILES

C[C@@H](CCC(=O)OC)[NH+]1CCC(CC1)[NH+]2CCC(CC2)C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C23H36N4O3/c1-18(5-6-22(28)30-2)26-14-9-21(10-15-26)27-12-7-20(8-13-27)23(29)25-17-19-4-3-11-24-16-19/h3-4,11,16,18,20-21H,5-10,12-15,17H2,1-2H3,(H,25,29)/p+2/t18-/m0/s1