(4-cyclohexylpiperazin-4-ium-1-yl)-(3-nitrophenyl)methanone

Systemtic Name: (4-cyclohexylpiperazin-4-ium-1-yl)-(3-nitrophenyl)methanone Openeye Name: (4-cyclohexylpiperazin-4-ium-1-yl)-(3-nitrophenyl)methanone CAS Name: (4-cyclohexyl-1-piperazin-4-iumyl)-(3-nitrophenyl)methanone IUPAC Name: (4-cyclohexylpiperazin-4-ium-1-yl)-(3-nitrophenyl)methanone Traditional Name: (4-cyclohexylpiperazin-4-ium-1-yl)-(3-nitrophenyl)methanone Formula: C17H24N3O3+ MolecularWeight: 318.39076

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O3/c21-17(14-5-4-8-16(13-14)20(22)23)19-11-9-18(10-12-19)15-6-2-1-3-7-15/h4-5,8,13,15H,1-3,6-7,9-12H2/p+1