4-methyl-2-propan-2-yl-6-[4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazin-1-yl]pyrimidin-1-ium

Systemtic Name: 4-methyl-2-propan-2-yl-6-[4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazin-1-yl]pyrimidin-1-ium Openeye Name: 2-isopropyl-4-methyl-6-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)piperazin-1-yl]pyrimidin-1-ium CAS Name: 4-methyl-2-propan-2-yl-6-[4-[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]-1-piperazinyl]pyrimidin-1-ium IUPAC Name: 4-methyl-2-propan-2-yl-6-[4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazin-1-yl]pyrimidin-1-ium Traditional Name: 2-isopropyl-4-methyl-6-[4-(5-pyrrolidinosulfonyl-2-pyridyl)piperazino]pyrimidin-1-ium Formula: C21H31N6O2S+ MolecularWeight: 431.57484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H30N6O2S/c1-16(2)21-23-17(3)14-20(24-21)26-12-10-25(11-13-26)19-7-6-18(15-22-19)30(28,29)27-8-4-5-9-27/h6-7,14-16H,4-5,8-13H2,1-3H3/p+1