9-(phenylmethyl)-6-piperazin-4-ium-1-yl-7H-purin-9-ium dichloride

Systemtic Name: 9-(phenylmethyl)-6-piperazin-4-ium-1-yl-7H-purin-9-ium dichloride Openeye Name: 9-benzyl-6-piperazin-4-ium-1-yl-7H-purin-9-ium dichloride CAS Name: 9-(phenylmethyl)-6-(1-piperazin-4-iumyl)-7H-purin-9-ium dichloride IUPAC Name: 9-benzyl-6-piperazin-4-ium-1-yl-7H-purin-9-ium dichloride Traditional Name: 9-benzyl-6-piperazin-4-ium-1-yl-7H-purin-9-ium dichloride Formula: C16H20Cl2N6 MolecularWeight: 367.2762

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=NC=NC3=C2NC=[N+]3CC4=CC=CC=C4.[Cl-].[Cl-]

Isomeric SMILES

C1CN(CC[NH2+]1)C2=NC=NC3=C2NC=[N+]3CC4=CC=CC=C4.[Cl-].[Cl-]

InChI

InChI=1S/C16H18N6.2ClH/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;2*1H