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

Systemtic Name: methyl 2-[methyl-[2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanoyl]amino]benzoate Openeye Name: methyl 2-[[2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]acetyl]-methyl-amino]benzoate CAS Name: 2-[methyl-[2-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[methyl-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 2-[[2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]acetyl]-methyl-amino]benzoic acid methyl ester Formula: C23H32N5O3+ MolecularWeight: 426.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CC[NH+](CC2)CC(=O)N(C)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CC[NH+](CC2)CC(=O)N(C)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C23H31N5O3/c1-16(2)22-24-17(3)14-20(25-22)28-12-10-27(11-13-28)15-21(29)26(4)19-9-7-6-8-18(19)23(30)31-5/h6-9,14,16H,10-13,15H2,1-5H3/p+1