N-(4-ethanoylphenyl)-3-[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]propanamide

Systemtic Name: N-(4-ethanoylphenyl)-3-[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]propanamide Openeye Name: N-(4-acetylphenyl)-3-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazin-1-yl]propanamide CAS Name: N-(4-acetylphenyl)-3-[4-(6-methyl-2-propan-2-yl-4-pyrimidin-3-iumyl)-1-piperazinyl]propanamide IUPAC Name: N-(4-acetylphenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-3-ium-4-yl)piperazin-1-yl]propanamide Traditional Name: N-(4-acetylphenyl)-3-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazino]propionamide Formula: C23H32N5O2+ MolecularWeight: 410.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)CCC(=O)NC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)CCC(=O)NC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C23H31N5O2/c1-16(2)23-24-17(3)15-21(26-23)28-13-11-27(12-14-28)10-9-22(30)25-20-7-5-19(6-8-20)18(4)29/h5-8,15-16H,9-14H2,1-4H3,(H,25,30)/p+1