3-[2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanoyl-phenyl-amino]propanamide

Systemtic Name: 3-[2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanoyl-phenyl-amino]propanamide Openeye Name: 3-(N-[2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]acetyl]anilino)propanamide CAS Name: 3-(N-[2-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazin-1-iumyl]-1-oxoethyl]anilino)propanamide IUPAC Name: 3-(N-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-ium-1-yl]acetyl]anilino)propanamide Traditional Name: 3-(N-[2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]acetyl]anilino)propionamide Formula: C23H33N6O2+ MolecularWeight: 425.54712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N6O2/c1-17(2)23-25-18(3)15-21(26-23)28-13-11-27(12-14-28)16-22(31)29(10-9-20(24)30)19-7-5-4-6-8-19/h4-8,15,17H,9-14,16H2,1-3H3,(H2,24,30)/p+1