methyl 4-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]-4-oxo-butanoate CAS Name: 4-[(1-cyclopentyl-4-piperidin-1-iumyl)methyl-[[(2R)-2-oxolanyl]methyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-4-oxobutanoate Traditional Name: 4-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]-4-keto-butyric acid methyl ester Formula: C21H37N2O4+ MolecularWeight: 381.52948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)N(CC1CC[NH+](CC1)C2CCCC2)CC3CCCO3

Isomeric SMILES

COC(=O)CCC(=O)N(C[C@H]1CCCO1)CC2CC[NH+](CC2)C3CCCC3

InChI

InChI=1S/C21H36N2O4/c1-26-21(25)9-8-20(24)23(16-19-7-4-14-27-19)15-17-10-12-22(13-11-17)18-5-2-3-6-18/h17-19H,2-16H2,1H3/p+1/t19-/m1/s1