1-phenyl-4-[5-(4-phenylpiperazin-1-ium-1-ylidene)penta-1,3-dienyl]piperazine dichloride trihydrate

Systemtic Name: 1-phenyl-4-[5-(4-phenylpiperazin-1-ium-1-ylidene)penta-1,3-dienyl]piperazine dichloride trihydrate Openeye Name: 1-phenyl-4-[5-(4-phenylpiperazin-1-ium-1-ylidene)penta-1,3-dienyl]piperazine dichloride trihydrate CAS Name: 1-phenyl-4-[5-(4-phenyl-1-piperazin-1-iumylidene)penta-1,3-dienyl]piperazine dichloride trihydrate IUPAC Name: 1-phenyl-4-[5-(4-phenylpiperazin-1-ium-1-ylidene)penta-1,3-dienyl]piperazine dichloride trihydrate Traditional Name: 1-phenyl-4-[5-(4-phenylpiperazin-1-ium-1-ylidene)penta-1,3-dienyl]piperazine dichloride trihydrate Formula: C50H68Cl2N8O3 MolecularWeight: 900.03272

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=CC=CC=[N+]2CCN(CC2)C3=CC=CC=C3)C4=CC=CC=C4.C1CN(CCN1C=CC=CC=[N+]2CCN(CC2)C3=CC=CC=C3)C4=CC=CC=C4.O.O.O.[Cl-].[Cl-]

Isomeric SMILES

C1CN(CCN1C=CC=CC=[N+]2CCN(CC2)C3=CC=CC=C3)C4=CC=CC=C4.C1CN(CCN1C=CC=CC=[N+]2CCN(CC2)C3=CC=CC=C3)C4=CC=CC=C4.O.O.O.[Cl-].[Cl-]

InChI

InChI=1S/2C25H31N4.2ClH.3H2O/c2*1-4-10-24(11-5-1)28-20-16-26(17-21-28)14-8-3-9-15-27-18-22-29(23-19-27)25-12-6-2-7-13-25;;;;;/h2*1-15H,16-23H2;2*1H;3*1H2/q2*+1;;;;;/p-2