methyl 2,4-dimethyl-5-[(2S)-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]propanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-[(2S)-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]propanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[(2S)-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[(2S)-2-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazin-1-iumyl]-1-oxopropyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[(2S)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-ium-1-yl]propanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C23H34N5O3+ MolecularWeight: 428.54776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CC[NH+](CC2)C(C)C(=O)C3=C(C(=C(N3)C)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CC[NH+](CC2)[C@@H](C)C(=O)C3=C(C(=C(N3)C)C(=O)OC)C

InChI

InChI=1S/C23H33N5O3/c1-13(2)22-24-14(3)12-18(26-22)28-10-8-27(9-11-28)17(6)21(29)20-15(4)19(16(5)25-20)23(30)31-7/h12-13,17,25H,8-11H2,1-7H3/p+1/t17-/m0/s1