6-[(3R,4S)-3,4-dimethyl-1-(5-methylhexyl)piperidin-4-yl]-1H-benzimidazole

Systemtic Name: 6-[(3R,4S)-3,4-dimethyl-1-(5-methylhexyl)piperidin-4-yl]-1H-benzimidazole Openeye Name: 6-[(3R,4S)-3,4-dimethyl-1-(5-methylhexyl)-4-piperidyl]-1H-benzimidazole CAS Name: 6-[(3R,4S)-3,4-dimethyl-1-(5-methylhexyl)-4-piperidinyl]-1H-benzimidazole IUPAC Name: 6-[(3R,4S)-3,4-dimethyl-1-(5-methylhexyl)piperidin-4-yl]-1H-benzimidazole Traditional Name: 6-[(3R,4S)-3,4-dimethyl-1-(5-methylhexyl)-4-piperidyl]-1H-benzimidazole Formula: C21H33N3 MolecularWeight: 327.50682

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1(C)C2=CC3=C(C=C2)N=CN3)CCCCC(C)C

Isomeric SMILES

C[C@H]1CN(CC[C@]1(C)C2=CC3=C(C=C2)N=CN3)CCCCC(C)C

InChI

InChI=1S/C21H33N3/c1-16(2)7-5-6-11-24-12-10-21(4,17(3)14-24)18-8-9-19-20(13-18)23-15-22-19/h8-9,13,15-17H,5-7,10-12,14H2,1-4H3,(H,22,23)/t17-,21-/m0/s1