1-methyl-4-[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide

Systemtic Name: 1-methyl-4-[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide Openeye Name: 4-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 1-methyl-4-[[4-(6-methyl-2-propan-2-yl-4-pyrimidin-3-iumyl)-1-piperazinyl]sulfonyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-4-[4-(6-methyl-2-propan-2-ylpyrimidin-3-ium-4-yl)piperazin-1-yl]sulfonylpyrrole-2-carboxamide Traditional Name: 4-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C18H27N6O3S+ MolecularWeight: 407.51038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N6O3S/c1-12(2)18-20-13(3)9-16(21-18)23-5-7-24(8-6-23)28(26,27)14-10-15(17(19)25)22(4)11-14/h9-12H,5-8H2,1-4H3,(H2,19,25)/p+1