ethyl 1-[2-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-pentyl-amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-pentyl-amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-pentyl-amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-pentylamino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-pentylamino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-amyl-amino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H40N5O5+ MolecularWeight: 466.5942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)C[NH+]2CCC(CC2)C(=O)OCC

Isomeric SMILES

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)C[NH+]2CCC(CC2)C(=O)OCC

InChI

InChI=1S/C23H39N5O5/c1-4-7-9-13-27(19-20(24)28(12-8-5-2)23(32)25-21(19)30)18(29)16-26-14-10-17(11-15-26)22(31)33-6-3/h17H,4-16,24H2,1-3H3,(H,25,30,32)/p+1