N,N-diethyl-2-[4-[(2S)-2-(4-nitrophenyl)sulfanylpropanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N,N-diethyl-2-[4-[(2S)-2-(4-nitrophenyl)sulfanylpropanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N,N-diethyl-2-[4-[(2S)-2-(4-nitrophenyl)sulfanylpropanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N,N-diethyl-2-[4-[(2S)-2-[(4-nitrophenyl)thio]-1-oxopropyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N,N-diethyl-2-[4-[(2S)-2-(4-nitrophenyl)sulfanylpropanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N,N-diethyl-2-[4-[(2S)-2-[(4-nitrophenyl)thio]propanoyl]piperazin-1-ium-1-yl]acetamide Formula: C19H29N4O4S+ MolecularWeight: 409.52296

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)[C@H](C)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H28N4O4S/c1-4-21(5-2)18(24)14-20-10-12-22(13-11-20)19(25)15(3)28-17-8-6-16(7-9-17)23(26)27/h6-9,15H,4-5,10-14H2,1-3H3/p+1/t15-/m0/s1