N,N-diethyl-2-[4-[(5-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N,N-diethyl-2-[4-[(5-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N,N-diethyl-2-[4-(5-nitrobenzothiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N,N-diethyl-2-[4-[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N,N-diethyl-2-[4-(5-nitro-1-benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N,N-diethyl-2-[4-(5-nitrobenzothiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C19H25N4O4S+ MolecularWeight: 405.4912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O4S/c1-3-21(4-2)18(24)13-20-7-9-22(10-8-20)19(25)17-12-14-11-15(23(26)27)5-6-16(14)28-17/h5-6,11-12H,3-4,7-10,13H2,1-2H3/p+1