1-azanylethyl-(9-azanyl-5-methyl-acridin-4-yl)carbonyl-ethyl-[(5-nitrothiophen-2-yl)methyl]azanium chloride

Systemtic Name: 1-azanylethyl-(9-azanyl-5-methyl-acridin-4-yl)carbonyl-ethyl-[(5-nitrothiophen-2-yl)methyl]azanium chloride Openeye Name: 1-aminoethyl-(9-amino-5-methyl-acridine-4-carbonyl)-ethyl-[(5-nitro-2-thienyl)methyl]ammonium chloride CAS Name: 1-aminoethyl-[(9-amino-5-methyl-4-acridinyl)-oxomethyl]-ethyl-[(5-nitro-2-thiophenyl)methyl]ammonium chloride IUPAC Name: 1-aminoethyl-(9-amino-5-methylacridine-4-carbonyl)-ethyl-[(5-nitrothiophen-2-yl)methyl]azanium chloride Traditional Name: 1-aminoethyl-(9-amino-5-methyl-acridine-4-carbonyl)-ethyl-[(5-nitro-2-thienyl)methyl]ammonium chloride Formula: C24H26ClN5O3S MolecularWeight: 500.01294

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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=C2N=C4C(=CC=CC4=C3N)C.[Cl-]

Isomeric SMILES

CC[N+](CC1=CC=C(S1)[N+](=O)[O-])(C(C)N)C(=O)C2=CC=CC3=C2N=C4C(=CC=CC4=C3N)C.[Cl-]

InChI

InChI=1S/C24H25N5O3S.ClH/c1-4-29(15(3)25,13-16-11-12-20(33-16)28(31)32)24(30)19-10-6-9-18-21(26)17-8-5-7-14(2)22(17)27-23(18)19;/h5-12,15H,4,13,25H2,1-3H3,(H-,26,27,30);1H