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

Systemtic Name: cyclohexyl-[4-(4-nitrophenyl)piperazin-4-ium-1-yl]methanone Openeye Name: cyclohexyl-[4-(4-nitrophenyl)piperazin-4-ium-1-yl]methanone CAS Name: cyclohexyl-[4-(4-nitrophenyl)-1-piperazin-4-iumyl]methanone IUPAC Name: cyclohexyl-[4-(4-nitrophenyl)piperazin-4-ium-1-yl]methanone Traditional Name: cyclohexyl-[4-(4-nitrophenyl)piperazin-4-ium-1-yl]methanone Formula: C17H24N3O3+ MolecularWeight: 318.39076

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CC[NH+](CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C(=O)N2CC[NH+](CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O3/c21-17(14-4-2-1-3-5-14)19-12-10-18(11-13-19)15-6-8-16(9-7-15)20(22)23/h6-9,14H,1-5,10-13H2/p+1