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

Systemtic Name: N-(2-fluorophenyl)-3-[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]propanamide Openeye Name: N-(2-fluorophenyl)-3-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazin-1-yl]propanamide CAS Name: N-(2-fluorophenyl)-3-[4-(6-methyl-2-propan-2-yl-4-pyrimidin-3-iumyl)-1-piperazinyl]propanamide IUPAC Name: N-(2-fluorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-3-ium-4-yl)piperazin-1-yl]propanamide Traditional Name: N-(2-fluorophenyl)-3-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazino]propionamide Formula: C21H29FN5O+ MolecularWeight: 386.486263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)CCC(=O)NC3=CC=CC=C3F

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)CCC(=O)NC3=CC=CC=C3F

InChI

InChI=1S/C21H28FN5O/c1-15(2)21-23-16(3)14-19(25-21)27-12-10-26(11-13-27)9-8-20(28)24-18-7-5-4-6-17(18)22/h4-7,14-15H,8-13H2,1-3H3,(H,24,28)/p+1