4-(4-methylpiperazine-1,4-diium-1-yl)-2,2-diphenyl-butanenitrile dichloride

Systemtic Name: 4-(4-methylpiperazine-1,4-diium-1-yl)-2,2-diphenyl-butanenitrile dichloride Openeye Name: 4-(4-methylpiperazine-1,4-diium-1-yl)-2,2-diphenyl-butanenitrile dichloride CAS Name: 4-(4-methyl-1-piperazine-1,4-diiumyl)-2,2-diphenylbutanenitrile dichloride IUPAC Name: 4-(4-methylpiperazine-1,4-diium-1-yl)-2,2-diphenylbutanenitrile dichloride Traditional Name: 4-(4-methylpiperazine-1,4-diium-1-yl)-2,2-diphenyl-butyronitrile dichloride Formula: C21H27Cl2N3 MolecularWeight: 392.36518

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Cl-]

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Cl-]

InChI

InChI=1S/C21H25N3.2ClH/c1-23-14-16-24(17-15-23)13-12-21(18-22,19-8-4-2-5-9-19)20-10-6-3-7-11-20;;/h2-11H,12-17H2,1H3;2*1H