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

Systemtic Name: 4-(4-methylpiperazine-1,4-diium-1-yl)-2,2-diphenyl-butanenitrile Openeye Name: 4-(4-methylpiperazine-1,4-diium-1-yl)-2,2-diphenyl-butanenitrile CAS Name: 4-(4-methyl-1-piperazine-1,4-diiumyl)-2,2-diphenylbutanenitrile IUPAC Name: 4-(4-methylpiperazine-1,4-diium-1-yl)-2,2-diphenylbutanenitrile Traditional Name: 4-(4-methylpiperazine-1,4-diium-1-yl)-2,2-diphenyl-butyronitrile Formula: C21H27N3+2 MolecularWeight: 321.45918

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3/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/p+2