(4-cyclopentylpiperazin-4-ium-1-yl)-(4-nitrophenyl)methanone

Systemtic Name: (4-cyclopentylpiperazin-4-ium-1-yl)-(4-nitrophenyl)methanone Openeye Name: (4-cyclopentylpiperazin-4-ium-1-yl)-(4-nitrophenyl)methanone CAS Name: (4-cyclopentyl-1-piperazin-4-iumyl)-(4-nitrophenyl)methanone IUPAC Name: (4-cyclopentylpiperazin-4-ium-1-yl)-(4-nitrophenyl)methanone Traditional Name: (4-cyclopentylpiperazin-4-ium-1-yl)-(4-nitrophenyl)methanone Formula: C16H22N3O3+ MolecularWeight: 304.36418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O3/c20-16(13-5-7-15(8-6-13)19(21)22)18-11-9-17(10-12-18)14-3-1-2-4-14/h5-8,14H,1-4,9-12H2/p+1