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

Systemtic Name: (2S)-N-ethyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-ethyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-ethyl-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-ethyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-ethyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propionamide Formula: C15H23N4O3+ MolecularWeight: 307.36812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4O3/c1-3-16-15(20)12(2)17-8-10-18(11-9-17)13-4-6-14(7-5-13)19(21)22/h4-7,12H,3,8-11H2,1-2H3,(H,16,20)/p+1/t12-/m0/s1