N-(1-cyanocycloheptyl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1-cyanocycloheptyl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(1-cyanocycloheptyl)acetamide CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-N-(1-cyanocycloheptyl)acetamide IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(1-cyanocycloheptyl)acetamide Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(1-cyanocycloheptyl)acetamide Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C#N)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCCC(CC1)(C#N)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H28N4O2/c22-17-21(10-6-1-2-7-11-21)23-19(26)16-24-12-14-25(15-13-24)20(27)18-8-4-3-5-9-18/h3-5,8-9H,1-2,6-7,10-16H2,(H,23,26)/p+1