9-(diphenylmethyl)-7-[(E)-3-methylhex-2-enyl]-N-phenylmethoxy-purin-9-ium-6-amine

Systemtic Name: 9-(diphenylmethyl)-7-[(E)-3-methylhex-2-enyl]-N-phenylmethoxy-purin-9-ium-6-amine Openeye Name: 9-benzhydryl-N-benzyloxy-7-[(E)-3-methylhex-2-enyl]purin-9-ium-6-amine CAS Name: 9-(diphenylmethyl)-7-[(E)-3-methylhex-2-enyl]-N-phenylmethoxy-6-purin-9-iumamine IUPAC Name: 9-benzhydryl-7-[(E)-3-methylhex-2-enyl]-N-phenylmethoxypurin-9-ium-6-amine Traditional Name: [9-benzhydryl-7-[(E)-3-methylhex-2-enyl]purin-9-ium-6-yl]-benzoxy-amine Formula: C32H34N5O+ MolecularWeight: 504.64526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=CCN1C=[N+](C2=C1C(=NC=N2)NOCC3=CC=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CCC/C(=C/CN1C=[N+](C2=C1C(=NC=N2)NOCC3=CC=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5)/C

InChI

InChI=1S/C32H34N5O/c1-3-13-25(2)20-21-36-24-37(29(27-16-9-5-10-17-27)28-18-11-6-12-19-28)32-30(36)31(33-23-34-32)35-38-22-26-14-7-4-8-15-26/h4-12,14-20,23-24,29H,3,13,21-22H2,1-2H3,(H,33,34,35)/q+1/b25-20+