propan-2-yl 4-[2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanoylamino]benzoate

Systemtic Name: propan-2-yl 4-[2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: isopropyl 4-[[2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]acetyl]amino]benzoic acid isopropyl ester Formula: C24H34N5O3+ MolecularWeight: 440.55846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)C(=O)OC(C)C

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)C(=O)OC(C)C

InChI

InChI=1S/C24H33N5O3/c1-16(2)23-25-18(5)14-21(27-23)29-12-10-28(11-13-29)15-22(30)26-20-8-6-19(7-9-20)24(31)32-17(3)4/h6-9,14,16-17H,10-13,15H2,1-5H3,(H,26,30)/p+1