N-[(2R)-5-methylhexan-2-yl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(2R)-5-methylhexan-2-yl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1R)-1,4-dimethylpentyl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(2R)-5-methylhexan-2-yl]-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2R)-5-methylhexan-2-yl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1R)-1,4-dimethylpentyl]-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4O3/c1-15(2)4-5-16(3)20-19(24)14-21-10-12-22(13-11-21)17-6-8-18(9-7-17)23(25)26/h6-9,15-16H,4-5,10-14H2,1-3H3,(H,20,24)/p+1/t16-/m1/s1