7-[(E)-5-[(1S,4aR,5S,8aR)-4a,5,8a-trimethyl-2-methylidene-3,4,5,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methyl-pent-2-enyl]-9-methyl-purin-9-ium-6-amine

Systemtic Name: 7-[(E)-5-[(1S,4aR,5S,8aR)-4a,5,8a-trimethyl-2-methylidene-3,4,5,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methyl-pent-2-enyl]-9-methyl-purin-9-ium-6-amine Openeye Name: 7-[(E)-5-[(1S,4aR,5S,8aR)-4a,5,8a-trimethyl-2-methylene-decalin-1-yl]-3-methyl-pent-2-enyl]-9-methyl-purin-9-ium-6-amine CAS Name: 7-[(E)-5-[(1S,4aR,5S,8aR)-4a,5,8a-trimethyl-2-methylene-3,4,5,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enyl]-9-methyl-6-purin-9-iumamine IUPAC Name: 7-[(E)-5-[(1S,4aR,5S,8aR)-4a,5,8a-trimethyl-2-methylidene-3,4,5,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enyl]-9-methylpurin-9-ium-6-amine Traditional Name: [7-[(E)-5-[(1S,4aR,5S,8aR)-4a,5,8a-trimethyl-2-methylene-decalin-1-yl]-3-methyl-pent-2-enyl]-9-methyl-purin-9-ium-6-yl]amine Formula: C26H40N5+ MolecularWeight: 422.6293

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC2(C1(CCC(=C)C2CCC(=CCN3C=[N+](C4=C3C(=NC=N4)N)C)C)C)C

Isomeric SMILES

C[C@H]1CCC[C@]2([C@@]1(CCC(=C)[C@@H]2CC/C(=C/CN3C=[N+](C4=C3C(=NC=N4)N)C)/C)C)C

InChI

InChI=1S/C26H40N5/c1-18(12-15-31-17-30(6)24-22(31)23(27)28-16-29-24)9-10-21-19(2)11-14-25(4)20(3)8-7-13-26(21,25)5/h12,16-17,20-21H,2,7-11,13-15H2,1,3-6H3,(H2,27,28,29)/q+1/b18-12+/t20-,21-,25+,26+/m0/s1