N-[(2S)-6-methylheptan-2-yl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(2S)-6-methylheptan-2-yl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1S)-1,5-dimethylhexyl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(2S)-6-methylheptan-2-yl]-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2S)-6-methylheptan-2-yl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1S)-1,5-dimethylhexyl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Formula: C20H33N4O3+ MolecularWeight: 377.50102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N4O3/c1-16(2)5-4-6-17(3)21-20(25)15-22-11-13-23(14-12-22)18-7-9-19(10-8-18)24(26)27/h7-10,16-17H,4-6,11-15H2,1-3H3,(H,21,25)/p+1/t17-/m0/s1