4-(4-ethenylphenyl)sulfonyl-4-oxidanyl-1-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]piperazin-4-ium-2-one

Systemtic Name: 4-(4-ethenylphenyl)sulfonyl-4-oxidanyl-1-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]piperazin-4-ium-2-one Openeye Name: 4-hydroxy-1-[(1-pyrimidin-4-yl-4-piperidyl)methyl]-4-(4-vinylphenyl)sulfonyl-piperazin-4-ium-2-one CAS Name: 4-(4-ethenylphenyl)sulfonyl-4-hydroxy-1-[[1-(4-pyrimidinyl)-4-piperidinyl]methyl]-2-piperazin-4-iumone IUPAC Name: 4-(4-ethenylphenyl)sulfonyl-4-hydroxy-1-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]piperazin-4-ium-2-one Traditional Name: 4-hydroxy-1-[[1-(4-pyrimidyl)-4-piperidyl]methyl]-4-(4-vinylphenyl)sulfonyl-piperazin-4-ium-2-one Formula: C22H28N5O4S+ MolecularWeight: 458.55382

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=CC=C(C=C1)S(=O)(=O)[N+]2(CCN(C(=O)C2)CC3CCN(CC3)C4=NC=NC=C4)O

Isomeric SMILES

C=CC1=CC=C(C=C1)S(=O)(=O)[N+]2(CCN(C(=O)C2)CC3CCN(CC3)C4=NC=NC=C4)O

InChI

InChI=1S/C22H28N5O4S/c1-2-18-3-5-20(6-4-18)32(30,31)27(29)14-13-26(22(28)16-27)15-19-8-11-25(12-9-19)21-7-10-23-17-24-21/h2-7,10,17,19,29H,1,8-9,11-16H2/q+1