7-(4-fluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pteridin-4-amine

Systemtic Name: 7-(4-fluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pteridin-4-amine Openeye Name: 7-(4-fluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pteridin-4-amine CAS Name: 7-(4-fluorophenyl)-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)-4-pteridinamine IUPAC Name: 7-(4-fluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pteridin-4-amine Traditional Name: [7-(4-fluorophenyl)pteridin-4-yl]-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)amine Formula: C21H26FN6+ MolecularWeight: 381.469743

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC2=NC=NC3=NC(=CN=C32)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC2=NC=NC3=NC(=CN=C32)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C21H25FN6/c1-20(2)9-15(10-21(3,4)28-20)26-18-17-19(25-12-24-18)27-16(11-23-17)13-5-7-14(22)8-6-13/h5-8,11-12,15,28H,9-10H2,1-4H3,(H,24,25,26,27)/p+1