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 hydroxide

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 hydroxide 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 hydroxide 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 hydroxide 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 hydroxide 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 hydroxide Formula: C26H41N5O MolecularWeight: 439.63664

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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.[OH-]

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.[OH-]

InChI

InChI=1S/C26H40N5.H2O/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);1H2/q+1;/p-1/b18-12+;/t20-,21-,25+,26+;/m0./s1