1-(diphenylmethyl)-4-(3-phenylprop-2-ynyl)piperazine-1,4-diium dichloride

Systemtic Name: 1-(diphenylmethyl)-4-(3-phenylprop-2-ynyl)piperazine-1,4-diium dichloride Openeye Name: 1-benzhydryl-4-(3-phenylprop-2-ynyl)piperazine-1,4-diium dichloride CAS Name: 1-(diphenylmethyl)-4-(3-phenylprop-2-ynyl)piperazine-1,4-diium dichloride IUPAC Name: 1-benzhydryl-4-(3-phenylprop-2-ynyl)piperazine-1,4-diium dichloride Traditional Name: 1-benzhydryl-4-(3-phenylprop-2-ynyl)piperazine-1,4-diium dichloride Formula: C26H28Cl2N2 MolecularWeight: 439.41992

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC#CC2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-].[Cl-]

Isomeric SMILES

C1C[NH+](CC[NH+]1CC#CC2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-].[Cl-]

InChI

InChI=1S/C26H26N2.2ClH/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25;;/h1-9,11-12,14-17,26H,18-22H2;2*1H