N-butyl-2-[4-[2-[(1-cyanocycloheptyl)amino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-[2-[(1-cyanocycloheptyl)amino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-butyl-2-[4-[2-[(1-cyanocycloheptyl)amino]-2-oxo-ethyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-butyl-2-[4-[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-butyl-2-[4-[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-butyl-2-[4-[2-[(1-cyanocycloheptyl)amino]-2-keto-ethyl]piperazin-1-ium-1-yl]acetamide Formula: C20H36N5O2+ MolecularWeight: 378.53214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CCN(CC1)CC(=O)NC2(CCCCCC2)C#N

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)CC(=O)NC2(CCCCCC2)C#N

InChI

InChI=1S/C20H35N5O2/c1-2-3-10-22-18(26)15-24-11-13-25(14-12-24)16-19(27)23-20(17-21)8-6-4-5-7-9-20/h2-16H2,1H3,(H,22,26)(H,23,27)/p+1