9-methyl-7-[(E)-3-methyl-5-[(1S,2R)-1,2,5,5-tetramethyl-2,3,4,6,7,8-hexahydronaphthalen-1-yl]pent-2-enyl]purin-9-ium-6-amine

Systemtic Name: 9-methyl-7-[(E)-3-methyl-5-[(1S,2R)-1,2,5,5-tetramethyl-2,3,4,6,7,8-hexahydronaphthalen-1-yl]pent-2-enyl]purin-9-ium-6-amine Openeye Name: 9-methyl-7-[(E)-3-methyl-5-[(1S,2R)-1,2,5,5-tetramethyl-2,3,4,6,7,8-hexahydronaphthalen-1-yl]pent-2-enyl]purin-9-ium-6-amine CAS Name: 9-methyl-7-[(E)-3-methyl-5-[(1S,2R)-1,2,5,5-tetramethyl-2,3,4,6,7,8-hexahydronaphthalen-1-yl]pent-2-enyl]-6-purin-9-iumamine IUPAC Name: 9-methyl-7-[(E)-3-methyl-5-[(1S,2R)-1,2,5,5-tetramethyl-2,3,4,6,7,8-hexahydronaphthalen-1-yl]pent-2-enyl]purin-9-ium-6-amine Traditional Name: [9-methyl-7-[(E)-3-methyl-5-[(1S,2R)-1,2,5,5-tetramethyl-2,3,4,6,7,8-hexahydronaphthalen-1-yl]pent-2-enyl]purin-9-ium-6-yl]amine Formula: C26H40N5+ MolecularWeight: 422.6293

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1(C)CCC(=CCN3C=[N+](C4=C3C(=NC=N4)N)C)C)CCCC2(C)C

Isomeric SMILES

C[C@@H]1CCC2=C([C@@]1(C)CC/C(=C/CN3C=[N+](C4=C3C(=NC=N4)N)C)/C)CCCC2(C)C

InChI

InChI=1S/C26H40N5/c1-18(12-15-31-17-30(6)24-22(31)23(27)28-16-29-24)11-14-26(5)19(2)9-10-20-21(26)8-7-13-25(20,3)4/h12,16-17,19H,7-11,13-15H2,1-6H3,(H2,27,28,29)/q+1/b18-12+/t19-,26+/m1/s1