9-(diphenylmethyl)-7-(3-methylbut-2-enyl)-N-phenylmethoxy-purin-9-ium-6-amine

Systemtic Name: 9-(diphenylmethyl)-7-(3-methylbut-2-enyl)-N-phenylmethoxy-purin-9-ium-6-amine Openeye Name: 9-benzhydryl-N-benzyloxy-7-(3-methylbut-2-enyl)purin-9-ium-6-amine CAS Name: 9-(diphenylmethyl)-7-(3-methylbut-2-enyl)-N-phenylmethoxy-6-purin-9-iumamine IUPAC Name: 9-benzhydryl-7-(3-methylbut-2-enyl)-N-phenylmethoxypurin-9-ium-6-amine Traditional Name: [9-benzhydryl-7-(3-methylbut-2-enyl)purin-9-ium-6-yl]-benzoxy-amine Formula: C30H30N5O+ MolecularWeight: 476.5921

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H30N5O/c1-23(2)18-19-34-22-35(27(25-14-8-4-9-15-25)26-16-10-5-11-17-26)30-28(34)29(31-21-32-30)33-36-20-24-12-6-3-7-13-24/h3-18,21-22,27H,19-20H2,1-2H3,(H,31,32,33)/q+1