7-[(4-chlorophenyl)methyl]-3-methyl-8-piperidin-1-ium-1-ylidene-9H-purine-2,6-dione

Systemtic Name: 7-[(4-chlorophenyl)methyl]-3-methyl-8-piperidin-1-ium-1-ylidene-9H-purine-2,6-dione Openeye Name: 7-[(4-chlorophenyl)methyl]-3-methyl-8-piperidin-1-ium-1-ylidene-9H-purine-2,6-dione CAS Name: 7-[(4-chlorophenyl)methyl]-3-methyl-8-(1-piperidin-1-iumylidene)-9H-purine-2,6-dione IUPAC Name: 7-[(4-chlorophenyl)methyl]-3-methyl-8-piperidin-1-ium-1-ylidene-9H-purine-2,6-dione Traditional Name: 7-(4-chlorobenzyl)-3-methyl-8-piperidin-1-ium-1-ylidene-9H-purine-2,6-quinone Formula: C18H21ClN5O2+ MolecularWeight: 374.84464

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=[N+]3CCCCC3)N2)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=[N+]3CCCCC3)N2)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C18H20ClN5O2/c1-22-15-14(16(25)21-18(22)26)24(11-12-5-7-13(19)8-6-12)17(20-15)23-9-3-2-4-10-23/h5-8H,2-4,9-11H2,1H3,(H,21,25,26)/p+1