4-[(4-chlorophenyl)methyl]-6,6-dimethyl-5,7-dihydro-1H-imidazo[1,2-a]purin-8-ium-9-one

Systemtic Name: 4-[(4-chlorophenyl)methyl]-6,6-dimethyl-5,7-dihydro-1H-imidazo[1,2-a]purin-8-ium-9-one Openeye Name: 4-[(4-chlorophenyl)methyl]-6,6-dimethyl-5,7-dihydro-1H-imidazo[1,2-a]purin-8-ium-9-one CAS Name: 4-[(4-chlorophenyl)methyl]-6,6-dimethyl-5,7-dihydro-1H-imidazo[1,2-a]purin-8-ium-9-one IUPAC Name: 4-[(4-chlorophenyl)methyl]-6,6-dimethyl-5,7-dihydro-1H-imidazo[1,2-a]purin-8-ium-9-one Traditional Name: 4-(4-chlorobenzyl)-6,6-dimethyl-5,7-dihydro-1H-imidazo[1,2-a]purin-8-ium-9-one Formula: C16H17ClN5O+ MolecularWeight: 330.79208

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C[N+]2=C(N1)N(C3=C(C2=O)NC=N3)CC4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1(C[N+]2=C(N1)N(C3=C(C2=O)NC=N3)CC4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C16H16ClN5O/c1-16(2)8-22-14(23)12-13(19-9-18-12)21(15(22)20-16)7-10-3-5-11(17)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,18,19,23)/p+1