2-[1-(2,2-diphenylbutanoyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethanenitrile

Systemtic Name: 2-[1-(2,2-diphenylbutanoyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethanenitrile Openeye Name: 2-[1-(2,2-diphenylbutanoyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)acetonitrile CAS Name: 2-[1-(1-oxo-2,2-diphenylbutyl)-1-piperazin-1-iumyl]-2-(3-pyridinyl)acetonitrile IUPAC Name: 2-[1-(2,2-diphenylbutanoyl)piperazin-1-ium-1-yl]-2-pyridin-3-ylacetonitrile Traditional Name: 2-[1-(2,2-diphenylbutanoyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)acetonitrile Formula: C27H29N4O+ MolecularWeight: 425.54536

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)[N+]3(CCNCC3)C(C#N)C4=CN=CC=C4

Isomeric SMILES

CCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)[N+]3(CCNCC3)C(C#N)C4=CN=CC=C4

InChI

InChI=1S/C27H29N4O/c1-2-27(23-11-5-3-6-12-23,24-13-7-4-8-14-24)26(32)31(18-16-29-17-19-31)25(20-28)22-10-9-15-30-21-22/h3-15,21,25,29H,2,16-19H2,1H3/q+1