4-[[4-(3-cyclopentylpropanoyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(3-cyclopentylpropanoyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(3-cyclopentylpropanoyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-(3-cyclopentyl-1-oxopropyl)-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(3-cyclopentylpropanoyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(3-cyclopentylpropanoyl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C20H28N3O+ MolecularWeight: 326.45582

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCC(C1)CCC(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H27N3O/c21-15-18-5-7-19(8-6-18)16-22-11-13-23(14-12-22)20(24)10-9-17-3-1-2-4-17/h5-8,17H,1-4,9-14,16H2/p+1