N-[(1R)-1-(2-methylphenyl)ethyl]-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(1R)-1-(2-methylphenyl)ethyl]-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-[(1R)-1-(o-tolyl)ethyl]acetamide CAS Name: N-[(1R)-1-(2-methylphenyl)ethyl]-2-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1R)-1-(2-methylphenyl)ethyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-[(1R)-1-(o-tolyl)ethyl]acetamide Formula: C23H34N5O+ MolecularWeight: 396.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)NC(=O)C[NH+]2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C

Isomeric SMILES

CC1=CC=CC=C1[C@@H](C)NC(=O)C[NH+]2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C

InChI

InChI=1S/C23H33N5O/c1-16(2)23-24-18(4)14-21(26-23)28-12-10-27(11-13-28)15-22(29)25-19(5)20-9-7-6-8-17(20)3/h6-9,14,16,19H,10-13,15H2,1-5H3,(H,25,29)/p+1/t19-/m1/s1