(5-chloranyl-2-nitro-phenyl)-(4-propylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (5-chloranyl-2-nitro-phenyl)-(4-propylpiperazin-4-ium-1-yl)methanone Openeye Name: (5-chloro-2-nitro-phenyl)-(4-propylpiperazin-4-ium-1-yl)methanone CAS Name: (5-chloro-2-nitrophenyl)-(4-propyl-1-piperazin-4-iumyl)methanone IUPAC Name: (5-chloro-2-nitrophenyl)-(4-propylpiperazin-4-ium-1-yl)methanone Traditional Name: (5-chloro-2-nitro-phenyl)-(4-propylpiperazin-4-ium-1-yl)methanone Formula: C14H19ClN3O3+ MolecularWeight: 312.77196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClN3O3/c1-2-5-16-6-8-17(9-7-16)14(19)12-10-11(15)3-4-13(12)18(20)21/h3-4,10H,2,5-9H2,1H3/p+1