1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-2-one

Systemtic Name: 1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-2-one Openeye Name: 1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-2-one CAS Name: 1-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-5-(1-pyrrolidinylsulfonyl)-2-pyridinone IUPAC Name: 1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one Traditional Name: 1-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-5-pyrrolidinosulfonyl-2-pyridone Formula: C18H25N6O3S+ MolecularWeight: 405.4945

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN(C(=O)C=C2)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN(C(=O)C=C2)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C18H24N6O3S/c25-17-5-4-16(28(26,27)24-8-1-2-9-24)14-23(17)15-21-10-12-22(13-11-21)18-19-6-3-7-20-18/h3-7,14H,1-2,8-13,15H2/p+1