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

Systemtic Name: 2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]ethanamide Openeye Name: 2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]acetamide CAS Name: 2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]-N-[(1R)-1-phenylbutyl]acetamide IUPAC Name: 2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]acetamide Traditional Name: 2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]acetamide Formula: C22H29N4O3+ MolecularWeight: 397.49066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC[C@H](C1=CC=CC=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O3/c1-2-6-21(18-7-4-3-5-8-18)23-22(27)17-24-13-15-25(16-14-24)19-9-11-20(12-10-19)26(28)29/h3-5,7-12,21H,2,6,13-17H2,1H3,(H,23,27)/p+1/t21-/m1/s1