acridin-4-ylcarbonyl-(1-azanylethyl)-ethyl-[(5-nitrothiophen-2-yl)methyl]azanium chloride

Systemtic Name: acridin-4-ylcarbonyl-(1-azanylethyl)-ethyl-[(5-nitrothiophen-2-yl)methyl]azanium chloride Openeye Name: acridine-4-carbonyl-(1-aminoethyl)-ethyl-[(5-nitro-2-thienyl)methyl]ammonium chloride CAS Name: [4-acridinyl(oxo)methyl]-(1-aminoethyl)-ethyl-[(5-nitro-2-thiophenyl)methyl]ammonium chloride IUPAC Name: acridine-4-carbonyl-(1-aminoethyl)-ethyl-[(5-nitrothiophen-2-yl)methyl]azanium chloride Traditional Name: acridine-4-carbonyl-(1-aminoethyl)-ethyl-[(5-nitro-2-thienyl)methyl]ammonium chloride Formula: C23H23ClN4O3S MolecularWeight: 470.97172

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC1=CC=C(S1)[N+](=O)[O-])(C(C)N)C(=O)C2=CC=CC3=CC4=CC=CC=C4N=C32.[Cl-]

Isomeric SMILES

CC[N+](CC1=CC=C(S1)[N+](=O)[O-])(C(C)N)C(=O)C2=CC=CC3=CC4=CC=CC=C4N=C32.[Cl-]

InChI

InChI=1S/C23H23N4O3S.ClH/c1-3-27(15(2)24,14-18-11-12-21(31-18)26(29)30)23(28)19-9-6-8-17-13-16-7-4-5-10-20(16)25-22(17)19;/h4-13,15H,3,14,24H2,1-2H3;1H/q+1;/p-1