7-[(2-chlorophenyl)methyl]-8-(3,5-dimethylpiperidin-1-ium-1-ylidene)-3-methyl-5H-purine-2,6-dione

Systemtic Name: 7-[(2-chlorophenyl)methyl]-8-(3,5-dimethylpiperidin-1-ium-1-ylidene)-3-methyl-5H-purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-8-(3,5-dimethylpiperidin-1-ium-1-ylidene)-3-methyl-5H-purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-8-(3,5-dimethyl-1-piperidin-1-iumylidene)-3-methyl-5H-purine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-8-(3,5-dimethylpiperidin-1-ium-1-ylidene)-3-methyl-5H-purine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-8-(3,5-dimethylpiperidin-1-ium-1-ylidene)-3-methyl-5H-purine-2,6-quinone Formula: C20H25ClN5O2+ MolecularWeight: 402.8978

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[N+](=C2N=C3C(N2CC4=CC=CC=C4Cl)C(=O)NC(=O)N3C)C1)C

Isomeric SMILES

CC1CC(C[N+](=C2N=C3C(N2CC4=CC=CC=C4Cl)C(=O)NC(=O)N3C)C1)C

InChI

InChI=1S/C20H24ClN5O2/c1-12-8-13(2)10-25(9-12)19-22-17-16(18(27)23-20(28)24(17)3)26(19)11-14-6-4-5-7-15(14)21/h4-7,12-13,16H,8-11H2,1-3H3/p+1