6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-4-methyl-2-propan-2-yl-pyrimidin-1-ium

Systemtic Name: 6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-4-methyl-2-propan-2-yl-pyrimidin-1-ium Openeye Name: 6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-isopropyl-4-methyl-pyrimidin-1-ium CAS Name: 6-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-4-methyl-2-propan-2-ylpyrimidin-1-ium IUPAC Name: 6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-4-methyl-2-propan-2-ylpyrimidin-1-ium Traditional Name: 2-isopropyl-4-methyl-6-(4-p-phenetylsulfonylpiperazino)pyrimidin-1-ium Formula: C20H29N4O3S+ MolecularWeight: 405.53426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O3S/c1-5-27-17-6-8-18(9-7-17)28(25,26)24-12-10-23(11-13-24)19-14-16(4)21-20(22-19)15(2)3/h6-9,14-15H,5,10-13H2,1-4H3/p+1