4-(4-cyclopentylpiperazin-4-ium-1-yl)carbonylbenzenecarbonitrile

Systemtic Name: 4-(4-cyclopentylpiperazin-4-ium-1-yl)carbonylbenzenecarbonitrile Openeye Name: 4-(4-cyclopentylpiperazin-4-ium-1-carbonyl)benzonitrile CAS Name: 4-[(4-cyclopentyl-1-piperazin-4-iumyl)-oxomethyl]benzonitrile IUPAC Name: 4-(4-cyclopentylpiperazin-4-ium-1-carbonyl)benzonitrile Traditional Name: 4-(4-cyclopentylpiperazin-4-ium-1-carbonyl)benzonitrile Formula: C17H22N3O+ MolecularWeight: 284.37608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCC(C1)[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H21N3O/c18-13-14-5-7-15(8-6-14)17(21)20-11-9-19(10-12-20)16-3-1-2-4-16/h5-8,16H,1-4,9-12H2/p+1