N-[(2S)-3-methylbutan-2-yl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(2S)-3-methylbutan-2-yl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1S)-1,2-dimethylpropyl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(2S)-3-methylbutan-2-yl]-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2S)-3-methylbutan-2-yl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1S)-1,2-dimethylpropyl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Formula: C17H27N4O3+ MolecularWeight: 335.42128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O3/c1-13(2)14(3)18-17(22)12-19-8-10-20(11-9-19)15-4-6-16(7-5-15)21(23)24/h4-7,13-14H,8-12H2,1-3H3,(H,18,22)/p+1/t14-/m0/s1