6-[(3R,4S)-1-hexyl-3,4-dimethyl-piperidin-4-yl]-2-methyl-1,3-benzoxazole

Systemtic Name: 6-[(3R,4S)-1-hexyl-3,4-dimethyl-piperidin-4-yl]-2-methyl-1,3-benzoxazole Openeye Name: 6-[(3R,4S)-1-hexyl-3,4-dimethyl-4-piperidyl]-2-methyl-1,3-benzoxazole CAS Name: 6-[(3R,4S)-1-hexyl-3,4-dimethyl-4-piperidinyl]-2-methyl-1,3-benzoxazole IUPAC Name: 6-[(3R,4S)-1-hexyl-3,4-dimethylpiperidin-4-yl]-2-methyl-1,3-benzoxazole Traditional Name: 6-[(3R,4S)-1-hexyl-3,4-dimethyl-4-piperidyl]-2-methyl-1,3-benzoxazole Formula: C21H32N2O MolecularWeight: 328.49158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CCC(C(C1)C)(C)C2=CC3=C(C=C2)N=C(O3)C

Isomeric SMILES

CCCCCCN1CC[C@]([C@H](C1)C)(C)C2=CC3=C(C=C2)N=C(O3)C

InChI

InChI=1S/C21H32N2O/c1-5-6-7-8-12-23-13-11-21(4,16(2)15-23)18-9-10-19-20(14-18)24-17(3)22-19/h9-10,14,16H,5-8,11-13,15H2,1-4H3/t16-,21-/m0/s1