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

Systemtic Name: (2S)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]propanamide Openeye Name: (2S)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]propanamide CAS Name: (2S)-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]-N-[(1R)-1-phenylbutyl]propanamide IUPAC Name: (2S)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]propanamide Traditional Name: (2S)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]propionamide Formula: C23H31N4O3+ MolecularWeight: 411.51724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O3/c1-3-7-22(19-8-5-4-6-9-19)24-23(28)18(2)25-14-16-26(17-15-25)20-10-12-21(13-11-20)27(29)30/h4-6,8-13,18,22H,3,7,14-17H2,1-2H3,(H,24,28)/p+1/t18-,22+/m0/s1