methyl (2R)-2-(2-chlorophenyl)-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]ethanoate

Systemtic Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]ethanoate Openeye Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazin-1-yl]acetate CAS Name: (2R)-2-(2-chlorophenyl)-2-[4-(6-methyl-2-propan-2-yl-4-pyrimidin-3-iumyl)-1-piperazinyl]acetic acid methyl ester IUPAC Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-3-ium-4-yl)piperazin-1-yl]acetate Traditional Name: (2R)-2-(2-chlorophenyl)-2-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazino]acetic acid methyl ester Formula: C21H28ClN4O2+ MolecularWeight: 403.92562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)C(C3=CC=CC=C3Cl)C(=O)OC

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)[C@H](C3=CC=CC=C3Cl)C(=O)OC

InChI

InChI=1S/C21H27ClN4O2/c1-14(2)20-23-15(3)13-18(24-20)25-9-11-26(12-10-25)19(21(27)28-4)16-7-5-6-8-17(16)22/h5-8,13-14,19H,9-12H2,1-4H3/p+1/t19-/m1/s1