4-(4-methylpiperazin-4-ium-1-yl)-2,2-diphenyl-butanenitrile

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)-2,2-diphenyl-butanenitrile Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)-2,2-diphenyl-butanenitrile CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-2,2-diphenylbutanenitrile IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)-2,2-diphenylbutanenitrile Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-2,2-diphenyl-butyronitrile Formula: C21H26N3+ MolecularWeight: 320.45124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[NH+]1CCN(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+1