4-[6-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine

Systemtic Name: 4-[6-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine Openeye Name: 4-[6-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine CAS Name: 4-[[6-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-3-pyridin-1-iumyl]sulfonyl]morpholine IUPAC Name: 4-[6-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine Traditional Name: 4-[6-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]pyridin-1-ium-3-yl]sulfonylmorpholine Formula: C21H31N6O3S+ MolecularWeight: 447.57424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H30N6O3S/c1-16(2)21-23-17(3)14-20(24-21)26-8-6-25(7-9-26)19-5-4-18(15-22-19)31(28,29)27-10-12-30-13-11-27/h4-5,14-16H,6-13H2,1-3H3/p+1