N-(3-chlorophenyl)-4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-(3-chlorophenyl)-4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(3-chlorophenyl)-4-[2-(isopropylamino)-2-oxo-ethyl]piperazin-4-ium-1-carboxamide CAS Name: N-(3-chlorophenyl)-4-[2-oxo-2-(propan-2-ylamino)ethyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(3-chlorophenyl)-4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(3-chlorophenyl)-4-[2-(isopropylamino)-2-keto-ethyl]piperazin-4-ium-1-carboxamide Formula: C16H24ClN4O2+ MolecularWeight: 339.84036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)NC2=CC(=CC=C2)Cl

Isomeric SMILES

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C16H23ClN4O2/c1-12(2)18-15(22)11-20-6-8-21(9-7-20)16(23)19-14-5-3-4-13(17)10-14/h3-5,10,12H,6-9,11H2,1-2H3,(H,18,22)(H,19,23)/p+1