N-(4-nitrophenyl)-4-propyl-piperazin-4-ium-1-carboxamide

Systemtic Name: N-(4-nitrophenyl)-4-propyl-piperazin-4-ium-1-carboxamide Openeye Name: N-(4-nitrophenyl)-4-propyl-piperazin-4-ium-1-carboxamide CAS Name: N-(4-nitrophenyl)-4-propyl-1-piperazin-4-iumcarboxamide IUPAC Name: N-(4-nitrophenyl)-4-propylpiperazin-4-ium-1-carboxamide Traditional Name: N-(4-nitrophenyl)-4-propyl-piperazin-4-ium-1-carboxamide Formula: C14H21N4O3+ MolecularWeight: 293.34154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O3/c1-2-7-16-8-10-17(11-9-16)14(19)15-12-3-5-13(6-4-12)18(20)21/h3-6H,2,7-11H2,1H3,(H,15,19)/p+1