methyl 5-oxidanylidene-5-[(3R)-3-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]piperidin-1-yl]pentanoate

Systemtic Name: methyl 5-oxidanylidene-5-[(3R)-3-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]piperidin-1-yl]pentanoate Openeye Name: methyl 5-oxo-5-[(3R)-3-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-1-piperidyl]pentanoate CAS Name: 5-oxo-5-[(3R)-3-[3-oxo-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propyl]-1-piperidinyl]pentanoic acid methyl ester IUPAC Name: methyl 5-oxo-5-[(3R)-3-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]piperidin-1-yl]pentanoate Traditional Name: 5-keto-5-[(3R)-3-[3-keto-3-(4-pyridin-1-ium-2-ylpiperazino)propyl]piperidino]valeric acid methyl ester Formula: C23H35N4O4+ MolecularWeight: 431.5484

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(=O)N1CCCC(C1)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

COC(=O)CCCC(=O)N1CCC[C@@H](C1)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C23H34N4O4/c1-31-23(30)9-4-8-21(28)27-13-5-6-19(18-27)10-11-22(29)26-16-14-25(15-17-26)20-7-2-3-12-24-20/h2-3,7,12,19H,4-6,8-11,13-18H2,1H3/p+1/t19-/m1/s1