N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propyl]-7H-purin-6-amine

Systemtic Name: N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propyl]-7H-purin-6-amine Openeye Name: N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propyl]-7H-purin-6-amine CAS Name: N-[3-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]propyl]-7H-purin-6-amine IUPAC Name: N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propyl]-7H-purin-6-amine Traditional Name: 3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propyl-(7H-purin-6-yl)amine Formula: C15H25N6+ MolecularWeight: 289.3992

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CCCNC2=NC=NC3=C2NC=N3)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)CCCNC2=NC=NC3=C2NC=N3)C

InChI

InChI=1S/C15H24N6/c1-11-6-12(2)8-21(7-11)5-3-4-16-14-13-15(18-9-17-13)20-10-19-14/h9-12H,3-8H2,1-2H3,(H2,16,17,18,19,20)/p+1/t11-,12-/m0/s1