diethyl-[(1S)-1-(4-nitrophenyl)-2-oxidanylidene-2-piperazin-1-yl-ethyl]azanium

Systemtic Name: diethyl-[(1S)-1-(4-nitrophenyl)-2-oxidanylidene-2-piperazin-1-yl-ethyl]azanium Openeye Name: diethyl-[(1S)-1-(4-nitrophenyl)-2-oxo-2-piperazin-1-yl-ethyl]ammonium CAS Name: diethyl-[(1S)-1-(4-nitrophenyl)-2-oxo-2-(1-piperazinyl)ethyl]ammonium IUPAC Name: diethyl-[(1S)-1-(4-nitrophenyl)-2-oxo-2-piperazin-1-ylethyl]azanium Traditional Name: diethyl-[(1S)-2-keto-1-(4-nitrophenyl)-2-piperazino-ethyl]ammonium Formula: C16H25N4O3+ MolecularWeight: 321.3947

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4O3/c1-3-18(4-2)15(16(21)19-11-9-17-10-12-19)13-5-7-14(8-6-13)20(22)23/h5-8,15,17H,3-4,9-12H2,1-2H3/p+1/t15-/m0/s1