N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-2,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-4-carboxamide

Systemtic Name: N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-2,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-4-carboxamide Openeye Name: N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-2,6-dimethyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrimidine-4-carboxamide CAS Name: N-[(1-cyclopentyl-4-piperidin-1-iumyl)methyl]-2,6-dimethyl-N-[[(2R)-2-oxolanyl]methyl]-4-pyrimidinecarboxamide IUPAC Name: N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-2,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-4-carboxamide Traditional Name: N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-2,6-dimethyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrimidine-4-carboxamide Formula: C23H37N4O2+ MolecularWeight: 401.56548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C(=O)N(CC2CC[NH+](CC2)C3CCCC3)CC4CCCO4)C

Isomeric SMILES

CC1=NC(=NC(=C1)C(=O)N(C[C@H]2CCCO2)CC3CC[NH+](CC3)C4CCCC4)C

InChI

InChI=1S/C23H36N4O2/c1-17-14-22(25-18(2)24-17)23(28)27(16-21-8-5-13-29-21)15-19-9-11-26(12-10-19)20-6-3-4-7-20/h14,19-21H,3-13,15-16H2,1-2H3/p+1/t21-/m1/s1