4-[6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine

Systemtic Name: 4-[6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine Openeye Name: 4-[6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine CAS Name: 4-[[6-[4-(2,6-dimethyl-4-pyrimidinyl)-1-piperazinyl]-3-pyridin-1-iumyl]sulfonyl]morpholine IUPAC Name: 4-[6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine Traditional Name: 4-[6-[4-(2,6-dimethylpyrimidin-4-yl)piperazino]pyridin-1-ium-3-yl]sulfonylmorpholine Formula: C19H27N6O3S+ MolecularWeight: 419.52108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N6O3S/c1-15-13-19(22-16(2)21-15)24-7-5-23(6-8-24)18-4-3-17(14-20-18)29(26,27)25-9-11-28-12-10-25/h3-4,13-14H,5-12H2,1-2H3/p+1