(1S)-1-[1-[(2,6-dimethylpyrimidin-4-yl)methyl]piperidin-1-ium-4-yl]-3-methyl-butan-1-ol

Systemtic Name: (1S)-1-[1-[(2,6-dimethylpyrimidin-4-yl)methyl]piperidin-1-ium-4-yl]-3-methyl-butan-1-ol Openeye Name: (1S)-1-[1-[(2,6-dimethylpyrimidin-4-yl)methyl]piperidin-1-ium-4-yl]-3-methyl-butan-1-ol CAS Name: (1S)-1-[1-[(2,6-dimethyl-4-pyrimidinyl)methyl]-4-piperidin-1-iumyl]-3-methyl-1-butanol IUPAC Name: (1S)-1-[1-[(2,6-dimethylpyrimidin-4-yl)methyl]piperidin-1-ium-4-yl]-3-methylbutan-1-ol Traditional Name: (1S)-1-[1-[(2,6-dimethylpyrimidin-4-yl)methyl]piperidin-1-ium-4-yl]-3-methyl-butan-1-ol Formula: C17H30N3O+ MolecularWeight: 292.4396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C)C[NH+]2CCC(CC2)C(CC(C)C)O

Isomeric SMILES

CC1=CC(=NC(=N1)C)C[NH+]2CCC(CC2)[C@H](CC(C)C)O

InChI

InChI=1S/C17H29N3O/c1-12(2)9-17(21)15-5-7-20(8-6-15)11-16-10-13(3)18-14(4)19-16/h10,12,15,17,21H,5-9,11H2,1-4H3/p+1/t17-/m0/s1