1-[(4-nitrophenyl)methyl]-4-pentan-3-yl-piperazin-4-ium

Systemtic Name: 1-[(4-nitrophenyl)methyl]-4-pentan-3-yl-piperazin-4-ium Openeye Name: 1-(1-ethylpropyl)-4-[(4-nitrophenyl)methyl]piperazin-1-ium CAS Name: 1-[(4-nitrophenyl)methyl]-4-pentan-3-ylpiperazin-4-ium IUPAC Name: 1-[(4-nitrophenyl)methyl]-4-pentan-3-ylpiperazin-4-ium Traditional Name: 1-(1-ethylpropyl)-4-(4-nitrobenzyl)piperazin-1-ium Formula: C16H26N3O2+ MolecularWeight: 292.39654

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH+]1CCN(CC1)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)[NH+]1CCN(CC1)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H25N3O2/c1-3-15(4-2)18-11-9-17(10-12-18)13-14-5-7-16(8-6-14)19(20)21/h5-8,15H,3-4,9-13H2,1-2H3/p+1