6-[4-(5-bromanyl-2-ethoxy-phenyl)sulfonylpiperazin-1-yl]-4-methyl-2-propan-2-yl-pyrimidin-1-ium

Systemtic Name: 6-[4-(5-bromanyl-2-ethoxy-phenyl)sulfonylpiperazin-1-yl]-4-methyl-2-propan-2-yl-pyrimidin-1-ium Openeye Name: 6-[4-(5-bromo-2-ethoxy-phenyl)sulfonylpiperazin-1-yl]-2-isopropyl-4-methyl-pyrimidin-1-ium CAS Name: 6-[4-(5-bromo-2-ethoxyphenyl)sulfonyl-1-piperazinyl]-4-methyl-2-propan-2-ylpyrimidin-1-ium IUPAC Name: 6-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]-4-methyl-2-propan-2-ylpyrimidin-1-ium Traditional Name: 6-[4-(5-bromo-2-ethoxy-phenyl)sulfonylpiperazino]-2-isopropyl-4-methyl-pyrimidin-1-ium Formula: C20H28BrN4O3S+ MolecularWeight: 484.43032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCN(CC2)C3=[NH+]C(=NC(=C3)C)C(C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCN(CC2)C3=[NH+]C(=NC(=C3)C)C(C)C

InChI

InChI=1S/C20H27BrN4O3S/c1-5-28-17-7-6-16(21)13-18(17)29(26,27)25-10-8-24(9-11-25)19-12-15(4)22-20(23-19)14(2)3/h6-7,12-14H,5,8-11H2,1-4H3/p+1