cyclopropyl-[4-(4-nitrophenyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: cyclopropyl-[4-(4-nitrophenyl)piperazin-4-ium-1-yl]methanone Openeye Name: cyclopropyl-[4-(4-nitrophenyl)piperazin-4-ium-1-yl]methanone CAS Name: cyclopropyl-[4-(4-nitrophenyl)-1-piperazin-4-iumyl]methanone IUPAC Name: cyclopropyl-[4-(4-nitrophenyl)piperazin-4-ium-1-yl]methanone Traditional Name: cyclopropyl-[4-(4-nitrophenyl)piperazin-4-ium-1-yl]methanone Formula: C14H18N3O3+ MolecularWeight: 276.31102

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CC[NH+](CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC1C(=O)N2CC[NH+](CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O3/c18-14(11-1-2-11)16-9-7-15(8-10-16)12-3-5-13(6-4-12)17(19)20/h3-6,11H,1-2,7-10H2/p+1