9-(phenylmethyl)-6-piperazin-1-yl-7H-purin-9-ium

Systemtic Name: 9-(phenylmethyl)-6-piperazin-1-yl-7H-purin-9-ium Openeye Name: 9-benzyl-6-piperazin-1-yl-7H-purin-9-ium CAS Name: 9-(phenylmethyl)-6-(1-piperazinyl)-7H-purin-9-ium IUPAC Name: 9-benzyl-6-piperazin-1-yl-7H-purin-9-ium Traditional Name: 9-benzyl-6-piperazino-7H-purin-9-ium Formula: C16H19N6+ MolecularWeight: 295.36226

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC=NC3=C2NC=[N+]3CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1)C2=NC=NC3=C2NC=[N+]3CC4=CC=CC=C4

InChI

InChI=1S/C16H18N6/c1-2-4-13(5-3-1)10-22-12-20-14-15(18-11-19-16(14)22)21-8-6-17-7-9-21/h1-5,11-12,17H,6-10H2/p+1