2-[4-(2-chloranyl-7H-purin-6-yl)piperazin-1-yl]-4-methyl-quinolin-1-ium

Systemtic Name: 2-[4-(2-chloranyl-7H-purin-6-yl)piperazin-1-yl]-4-methyl-quinolin-1-ium Openeye Name: 2-[4-(2-chloro-7H-purin-6-yl)piperazin-1-yl]-4-methyl-quinolin-1-ium CAS Name: 2-[4-(2-chloro-7H-purin-6-yl)-1-piperazinyl]-4-methylquinolin-1-ium IUPAC Name: 2-[4-(2-chloro-7H-purin-6-yl)piperazin-1-yl]-4-methylquinolin-1-ium Traditional Name: 2-[4-(2-chloro-7H-purin-6-yl)piperazino]-4-methyl-quinolin-1-ium Formula: C19H19ClN7+ MolecularWeight: 380.85406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=CC=CC=C12)N3CCN(CC3)C4=NC(=NC5=C4NC=N5)Cl

Isomeric SMILES

CC1=CC(=[NH+]C2=CC=CC=C12)N3CCN(CC3)C4=NC(=NC5=C4NC=N5)Cl

InChI

InChI=1S/C19H18ClN7/c1-12-10-15(23-14-5-3-2-4-13(12)14)26-6-8-27(9-7-26)18-16-17(22-11-21-16)24-19(20)25-18/h2-5,10-11H,6-9H2,1H3,(H,21,22,24,25)/p+1