(2R,6R)-4-[1-(benzotriazol-1-yl)-4-tert-butyl-cyclohexyl]-2,6-dimethyl-morpholin-4-ium

Systemtic Name: (2R,6R)-4-[1-(benzotriazol-1-yl)-4-tert-butyl-cyclohexyl]-2,6-dimethyl-morpholin-4-ium Openeye Name: (2R,6R)-4-[1-(benzotriazol-1-yl)-4-tert-butyl-cyclohexyl]-2,6-dimethyl-morpholin-4-ium CAS Name: (2R,6R)-4-[1-(1-benzotriazolyl)-4-tert-butylcyclohexyl]-2,6-dimethylmorpholin-4-ium IUPAC Name: (2R,6R)-4-[1-(benzotriazol-1-yl)-4-tert-butylcyclohexyl]-2,6-dimethylmorpholin-4-ium Traditional Name: (2R,6R)-4-[1-(benzotriazol-1-yl)-4-tert-butyl-cyclohexyl]-2,6-dimethyl-morpholin-4-ium Formula: C22H35N4O+ MolecularWeight: 371.5395

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)C2(CCC(CC2)C(C)(C)C)N3C4=CC=CC=C4N=N3

Isomeric SMILES

C[C@@H]1C[NH+](C[C@H](O1)C)C2(CCC(CC2)C(C)(C)C)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H34N4O/c1-16-14-25(15-17(2)27-16)22(12-10-18(11-13-22)21(3,4)5)26-20-9-7-6-8-19(20)23-24-26/h6-9,16-18H,10-15H2,1-5H3/p+1/t16-,17-,18?,22?/m1/s1