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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C(C)[NH+]1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC[C@H](CNC(=O)[C@H](C)[NH+]1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

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