2-hydroxyethyl-methyl-[(1S)-1-(3-nitrophenyl)-2-oxidanylidene-2-piperazin-1-yl-ethyl]azanium

Systemtic Name: 2-hydroxyethyl-methyl-[(1S)-1-(3-nitrophenyl)-2-oxidanylidene-2-piperazin-1-yl-ethyl]azanium Openeye Name: 2-hydroxyethyl-methyl-[(1S)-1-(3-nitrophenyl)-2-oxo-2-piperazin-1-yl-ethyl]ammonium CAS Name: 2-hydroxyethyl-methyl-[(1S)-1-(3-nitrophenyl)-2-oxo-2-(1-piperazinyl)ethyl]ammonium IUPAC Name: 2-hydroxyethyl-methyl-[(1S)-1-(3-nitrophenyl)-2-oxo-2-piperazin-1-ylethyl]azanium Traditional Name: 2-hydroxyethyl-[(1S)-2-keto-1-(3-nitrophenyl)-2-piperazino-ethyl]-methyl-ammonium Formula: C15H23N4O4+ MolecularWeight: 323.36752

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCO)C(C1=CC(=CC=C1)[N+](=O)[O-])C(=O)N2CCNCC2

Isomeric SMILES

C[NH+](CCO)[C@@H](C1=CC(=CC=C1)[N+](=O)[O-])C(=O)N2CCNCC2

InChI

InChI=1S/C15H22N4O4/c1-17(9-10-20)14(15(21)18-7-5-16-6-8-18)12-3-2-4-13(11-12)19(22)23/h2-4,11,14,16,20H,5-10H2,1H3/p+1/t14-/m0/s1