2-[4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]pyrimidine

Systemtic Name: 2-[4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]pyrimidine Openeye Name: 2-[4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]pyrimidine CAS Name: 2-[4-[5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumyl]-1-piperazinyl]pyrimidine IUPAC Name: 2-[4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]pyrimidine Traditional Name: 2-[4-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)piperazino]pyrimidine Formula: C17H23N6O2S+ MolecularWeight: 375.46852

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C17H22N6O2S/c24-26(25,23-8-1-2-9-23)15-4-5-16(20-14-15)21-10-12-22(13-11-21)17-18-6-3-7-19-17/h3-7,14H,1-2,8-13H2/p+1