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

Systemtic Name: (2S)-N-ethyl-2-[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanoylamino]propanamide Openeye Name: (2S)-N-ethyl-2-[[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetyl]amino]propanamide CAS Name: (2S)-N-ethyl-2-[[2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]propanamide IUPAC Name: (2S)-N-ethyl-2-[[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetyl]amino]propanamide Traditional Name: (2S)-N-ethyl-2-[[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetyl]amino]propionamide Formula: C17H26N5O4+ MolecularWeight: 364.41944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N5O4/c1-3-18-17(24)13(2)19-16(23)12-20-8-10-21(11-9-20)14-4-6-15(7-5-14)22(25)26/h4-7,13H,3,8-12H2,1-2H3,(H,18,24)(H,19,23)/p+1/t13-/m0/s1