4-[4-(2-oxidanylidene-3-propanoyl-benzimidazol-1-yl)piperidin-1-ium-1-yl]-2,2-diphenyl-butanenitrile

Systemtic Name: 4-[4-(2-oxidanylidene-3-propanoyl-benzimidazol-1-yl)piperidin-1-ium-1-yl]-2,2-diphenyl-butanenitrile Openeye Name: 4-[4-(2-oxo-3-propanoyl-benzimidazol-1-yl)piperidin-1-ium-1-yl]-2,2-diphenyl-butanenitrile CAS Name: 4-[4-[2-oxo-3-(1-oxopropyl)-1-benzimidazolyl]-1-piperidin-1-iumyl]-2,2-diphenylbutanenitrile IUPAC Name: 4-[4-(2-oxo-3-propanoylbenzimidazol-1-yl)piperidin-1-ium-1-yl]-2,2-diphenylbutanenitrile Traditional Name: 4-[4-(2-keto-3-propionyl-benzimidazol-1-yl)piperidin-1-ium-1-yl]-2,2-diphenyl-butyronitrile Formula: C31H33N4O2+ MolecularWeight: 493.61932

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C2=CC=CC=C2N(C1=O)C3CC[NH+](CC3)CCC(C#N)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCC(=O)N1C2=CC=CC=C2N(C1=O)C3CC[NH+](CC3)CCC(C#N)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H32N4O2/c1-2-29(36)35-28-16-10-9-15-27(28)34(30(35)37)26-17-20-33(21-18-26)22-19-31(23-32,24-11-5-3-6-12-24)25-13-7-4-8-14-25/h3-16,26H,2,17-22H2,1H3/p+1