N-[bis(4-fluorophenyl)methyl]-1-(2-chloranyl-9-prop-2-enyl-7H-purin-9-ium-6-yl)piperidin-4-amine

Systemtic Name: N-[bis(4-fluorophenyl)methyl]-1-(2-chloranyl-9-prop-2-enyl-7H-purin-9-ium-6-yl)piperidin-4-amine Openeye Name: 1-(9-allyl-2-chloro-7H-purin-9-ium-6-yl)-N-[bis(4-fluorophenyl)methyl]piperidin-4-amine CAS Name: N-[bis(4-fluorophenyl)methyl]-1-(2-chloro-9-prop-2-enyl-7H-purin-9-ium-6-yl)-4-piperidinamine IUPAC Name: N-[bis(4-fluorophenyl)methyl]-1-(2-chloro-9-prop-2-enyl-7H-purin-9-ium-6-yl)piperidin-4-amine Traditional Name: [1-(9-allyl-2-chloro-7H-purin-9-ium-6-yl)-4-piperidyl]-[bis(4-fluorophenyl)methyl]amine Formula: C26H26ClF2N6+ MolecularWeight: 495.974646

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1=CNC2=C1N=C(N=C2N3CCC(CC3)NC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)Cl

Isomeric SMILES

C=CC[N+]1=CNC2=C1N=C(N=C2N3CCC(CC3)NC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)Cl

InChI

InChI=1S/C26H25ClF2N6/c1-2-13-35-16-30-23-24(32-26(27)33-25(23)35)34-14-11-21(12-15-34)31-22(17-3-7-19(28)8-4-17)18-5-9-20(29)10-6-18/h2-10,16,21-22,31H,1,11-15H2/p+1