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

Systemtic Name: 2-[(3S)-1-(2,6-dimethylpyrimidin-3-ium-4-yl)piperidin-3-yl]-1,3-benzoxazole Openeye Name: 2-[(3S)-1-(2,6-dimethylpyrimidin-3-ium-4-yl)-3-piperidyl]-1,3-benzoxazole CAS Name: 2-[(3S)-1-(2,6-dimethyl-4-pyrimidin-3-iumyl)-3-piperidinyl]-1,3-benzoxazole IUPAC Name: 2-[(3S)-1-(2,6-dimethylpyrimidin-3-ium-4-yl)piperidin-3-yl]-1,3-benzoxazole Traditional Name: 2-[(3S)-1-(2,6-dimethylpyrimidin-3-ium-4-yl)-3-piperidyl]-1,3-benzoxazole Formula: C18H21N4O+ MolecularWeight: 309.38554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)C)N2CCCC(C2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)C)N2CCC[C@@H](C2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C18H20N4O/c1-12-10-17(20-13(2)19-12)22-9-5-6-14(11-22)18-21-15-7-3-4-8-16(15)23-18/h3-4,7-8,10,14H,5-6,9,11H2,1-2H3/p+1/t14-/m0/s1