N-[(2S)-heptan-2-yl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(2S)-heptan-2-yl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1S)-1-methylhexyl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(2S)-heptan-2-yl]-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2S)-heptan-2-yl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1S)-1-methylhexyl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Formula: C19H31N4O3+ MolecularWeight: 363.47444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC[C@H](C)NC(=O)C[NH+]1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H30N4O3/c1-3-4-5-6-16(2)20-19(24)15-21-11-13-22(14-12-21)17-7-9-18(10-8-17)23(25)26/h7-10,16H,3-6,11-15H2,1-2H3,(H,20,24)/p+1/t16-/m0/s1