2-(acridin-4-ylcarbonylamino)ethyl-ethyl-[(5-nitrothiophen-2-yl)methyl]azanium chloride

Systemtic Name: 2-(acridin-4-ylcarbonylamino)ethyl-ethyl-[(5-nitrothiophen-2-yl)methyl]azanium chloride Openeye Name: 2-(acridine-4-carbonylamino)ethyl-ethyl-[(5-nitro-2-thienyl)methyl]ammonium chloride CAS Name: 2-[[4-acridinyl(oxo)methyl]amino]ethyl-ethyl-[(5-nitro-2-thiophenyl)methyl]ammonium chloride IUPAC Name: 2-(acridine-4-carbonylamino)ethyl-ethyl-[(5-nitrothiophen-2-yl)methyl]azanium chloride Traditional Name: 2-(acridine-4-carbonylamino)ethyl-ethyl-[(5-nitro-2-thienyl)methyl]ammonium chloride Formula: C23H23ClN4O3S MolecularWeight: 470.97172

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCNC(=O)C1=CC=CC2=CC3=CC=CC=C3N=C21)CC4=CC=C(S4)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CC[NH+](CCNC(=O)C1=CC=CC2=CC3=CC=CC=C3N=C21)CC4=CC=C(S4)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C23H22N4O3S.ClH/c1-2-26(15-18-10-11-21(31-18)27(29)30)13-12-24-23(28)19-8-5-7-17-14-16-6-3-4-9-20(16)25-22(17)19;/h3-11,14H,2,12-13,15H2,1H3,(H,24,28);1H