2-chloranyl-N-[2-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethyl]-7H-purin-6-amine

Systemtic Name: 2-chloranyl-N-[2-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethyl]-7H-purin-6-amine Openeye Name: N-[2-(1-benzylpiperidin-1-ium-4-yl)ethyl]-2-chloro-7H-purin-6-amine CAS Name: 2-chloro-N-[2-[1-(phenylmethyl)-4-piperidin-1-iumyl]ethyl]-7H-purin-6-amine IUPAC Name: N-[2-(1-benzylpiperidin-1-ium-4-yl)ethyl]-2-chloro-7H-purin-6-amine Traditional Name: 2-(1-benzylpiperidin-1-ium-4-yl)ethyl-(2-chloro-7H-purin-6-yl)amine Formula: C19H24ClN6+ MolecularWeight: 371.88706

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCNC2=NC(=NC3=C2NC=N3)Cl)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1CCNC2=NC(=NC3=C2NC=N3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C19H23ClN6/c20-19-24-17(16-18(25-19)23-13-22-16)21-9-6-14-7-10-26(11-8-14)12-15-4-2-1-3-5-15/h1-5,13-14H,6-12H2,(H2,21,22,23,24,25)/p+1