N-(3-nitrophenyl)-4-[2-oxidanylidene-2-(propylamino)ethyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-(3-nitrophenyl)-4-[2-oxidanylidene-2-(propylamino)ethyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(3-nitrophenyl)-4-[2-oxo-2-(propylamino)ethyl]piperazin-4-ium-1-carboxamide CAS Name: N-(3-nitrophenyl)-4-[2-oxo-2-(propylamino)ethyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(3-nitrophenyl)-4-[2-oxo-2-(propylamino)ethyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-[2-keto-2-(propylamino)ethyl]-N-(3-nitrophenyl)piperazin-4-ium-1-carboxamide Formula: C16H24N5O4+ MolecularWeight: 350.39286

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCN(CC1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)C[NH+]1CCN(CC1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H23N5O4/c1-2-6-17-15(22)12-19-7-9-20(10-8-19)16(23)18-13-4-3-5-14(11-13)21(24)25/h3-5,11H,2,6-10,12H2,1H3,(H,17,22)(H,18,23)/p+1