methyl 4-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-(pyridin-3-ylmethyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-(pyridin-3-ylmethyl)amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-(3-pyridylmethyl)amino]-4-oxo-butanoate CAS Name: 4-[[(3R)-1-cyclohexyl-3-piperidin-1-iumyl]methyl-(3-pyridinylmethyl)amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-(pyridin-3-ylmethyl)amino]-4-oxobutanoate Traditional Name: 4-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-(3-pyridylmethyl)amino]-4-keto-butyric acid methyl ester Formula: C23H36N3O3+ MolecularWeight: 402.55024

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)N(CC1CCC[NH+](C1)C2CCCCC2)CC3=CN=CC=C3

Isomeric SMILES

COC(=O)CCC(=O)N(C[C@H]1CCC[NH+](C1)C2CCCCC2)CC3=CN=CC=C3

InChI

InChI=1S/C23H35N3O3/c1-29-23(28)12-11-22(27)26(16-19-7-5-13-24-15-19)18-20-8-6-14-25(17-20)21-9-3-2-4-10-21/h5,7,13,15,20-21H,2-4,6,8-12,14,16-18H2,1H3/p+1/t20-/m0/s1