(E)-3-(3-chlorophenyl)-1-[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(3-chlorophenyl)-1-[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(3-chlorophenyl)-1-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3-chlorophenyl)-1-[4-(6-methyl-2-propan-2-yl-4-pyrimidin-3-iumyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(3-chlorophenyl)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-3-ium-4-yl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(3-chlorophenyl)-1-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazino]prop-2-en-1-one Formula: C21H26ClN4O+ MolecularWeight: 385.91034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)C(=O)C=CC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)C(=O)/C=C/C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H25ClN4O/c1-15(2)21-23-16(3)13-19(24-21)25-9-11-26(12-10-25)20(27)8-7-17-5-4-6-18(22)14-17/h4-8,13-15H,9-12H2,1-3H3/p+1/b8-7+