9-methyl-1-[(3-methylphenyl)methoxy]purin-1-ium-6-amine perchlorate

Systemtic Name: 9-methyl-1-[(3-methylphenyl)methoxy]purin-1-ium-6-amine perchlorate Openeye Name: 9-methyl-1-(m-tolylmethoxy)purin-1-ium-6-amine perchlorate CAS Name: 9-methyl-1-[(3-methylphenyl)methoxy]-6-purin-1-iumamine perchlorate IUPAC Name: 9-methyl-1-[(3-methylphenyl)methoxy]purin-1-ium-6-amine perchlorate Traditional Name: [9-methyl-1-(3-methylbenzyl)oxy-purin-1-ium-6-yl]amine perchlorate Formula: C14H16ClN5O5 MolecularWeight: 369.76034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CO[N+]2=C(C3=C(N=C2)N(C=N3)C)N.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC(=CC=C1)CO[N+]2=C(C3=C(N=C2)N(C=N3)C)N.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C14H15N5O.ClHO4/c1-10-4-3-5-11(6-10)7-20-19-9-17-14-12(13(19)15)16-8-18(14)2;2-1(3,4)5/h3-6,8-9,15H,7H2,1-2H3;(H,2,3,4,5)