methyl (4R)-4-[4-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]piperidin-1-ium-1-yl]pentanoate

Systemtic Name: methyl (4R)-4-[4-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]piperidin-1-ium-1-yl]pentanoate Openeye Name: methyl (4R)-4-[4-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxo-propyl]piperidin-1-ium-1-yl]pentanoate CAS Name: (4R)-4-[4-[3-(4-ethyl-1-piperazin-4-iumyl)-3-oxopropyl]-1-piperidin-1-iumyl]pentanoic acid methyl ester IUPAC Name: methyl (4R)-4-[4-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropyl]piperidin-1-ium-1-yl]pentanoate Traditional Name: (4R)-4-[4-[3-(4-ethylpiperazin-4-ium-1-yl)-3-keto-propyl]piperidin-1-ium-1-yl]valeric acid methyl ester Formula: C20H39N3O3+2 MolecularWeight: 369.54196

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)CCC2CC[NH+](CC2)C(C)CCC(=O)OC

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)CCC2CC[NH+](CC2)[C@H](C)CCC(=O)OC

InChI

InChI=1S/C20H37N3O3/c1-4-21-13-15-23(16-14-21)19(24)7-6-18-9-11-22(12-10-18)17(2)5-8-20(25)26-3/h17-18H,4-16H2,1-3H3/p+2/t17-/m1/s1