(2S,6S)-2,6-dimethyl-4-[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]sulfonyl-morpholine

Systemtic Name: (2S,6S)-2,6-dimethyl-4-[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]sulfonyl-morpholine Openeye Name: (2S,6S)-4-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazin-1-yl]sulfonyl-2,6-dimethyl-morpholine CAS Name: (2S,6S)-2,6-dimethyl-4-[[4-(6-methyl-2-propan-2-yl-4-pyrimidin-3-iumyl)-1-piperazinyl]sulfonyl]morpholine IUPAC Name: (2S,6S)-2,6-dimethyl-4-[4-(6-methyl-2-propan-2-ylpyrimidin-3-ium-4-yl)piperazin-1-yl]sulfonylmorpholine Traditional Name: (2S,6S)-4-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazino]sulfonyl-2,6-dimethyl-morpholine Formula: C18H32N5O3S+ MolecularWeight: 398.54338

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)N2CCN(CC2)C3=[NH+]C(=NC(=C3)C)C(C)C

Isomeric SMILES

C[C@H]1CN(C[C@@H](O1)C)S(=O)(=O)N2CCN(CC2)C3=[NH+]C(=NC(=C3)C)C(C)C

InChI

InChI=1S/C18H31N5O3S/c1-13(2)18-19-14(3)10-17(20-18)21-6-8-22(9-7-21)27(24,25)23-11-15(4)26-16(5)12-23/h10,13,15-16H,6-9,11-12H2,1-5H3/p+1/t15-,16-/m0/s1