3-cyclopentyl-1-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-cyclopentyl-1-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-cyclopentyl-1-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-cyclopentyl-1-[4-[(4-nitrophenyl)methyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-cyclopentyl-1-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-cyclopentyl-1-[4-(4-nitrobenzyl)piperazin-4-ium-1-yl]propan-1-one Formula: C19H28N3O3+ MolecularWeight: 346.44392

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)CCC(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H27N3O3/c23-19(10-7-16-3-1-2-4-16)21-13-11-20(12-14-21)15-17-5-8-18(9-6-17)22(24)25/h5-6,8-9,16H,1-4,7,10-15H2/p+1