4,7,8-trimethyl-6-phenyl-2-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 4,7,8-trimethyl-6-phenyl-2-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 4,7,8-trimethyl-6-phenyl-2-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7,8-trimethyl-6-phenyl-2-[2-(1-piperidin-1-iumyl)ethyl]purino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7,8-trimethyl-6-phenyl-2-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 4,7,8-trimethyl-6-phenyl-2-(2-piperidin-1-ium-1-ylethyl)purin[7,8-a]imidazole-1,3-quinone Formula: C23H29N6O2+ MolecularWeight: 421.51536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C3=C(N=C2N1C4=CC=CC=C4)N(C(=O)N(C3=O)CC[NH+]5CCCCC5)C)C

Isomeric SMILES

CC1=C(N2C3=C(N=C2N1C4=CC=CC=C4)N(C(=O)N(C3=O)CC[NH+]5CCCCC5)C)C

InChI

InChI=1S/C23H28N6O2/c1-16-17(2)29-19-20(24-22(29)28(16)18-10-6-4-7-11-18)25(3)23(31)27(21(19)30)15-14-26-12-8-5-9-13-26/h4,6-7,10-11H,5,8-9,12-15H2,1-3H3/p+1