2-[(9-azanyl-8-methyl-acridin-4-yl)carbonylamino]ethyl-ethyl-[(1-methyl-5-nitro-pyrrol-2-yl)methyl]azanium chloride

Systemtic Name: 2-[(9-azanyl-8-methyl-acridin-4-yl)carbonylamino]ethyl-ethyl-[(1-methyl-5-nitro-pyrrol-2-yl)methyl]azanium chloride Openeye Name: 2-[(9-amino-8-methyl-acridine-4-carbonyl)amino]ethyl-ethyl-[(1-methyl-5-nitro-pyrrol-2-yl)methyl]ammonium chloride CAS Name: 2-[[(9-amino-8-methyl-4-acridinyl)-oxomethyl]amino]ethyl-ethyl-[(1-methyl-5-nitro-2-pyrrolyl)methyl]ammonium chloride IUPAC Name: 2-[(9-amino-8-methylacridine-4-carbonyl)amino]ethyl-ethyl-[(1-methyl-5-nitropyrrol-2-yl)methyl]azanium chloride Traditional Name: 2-[(9-amino-8-methyl-acridine-4-carbonyl)amino]ethyl-ethyl-[(1-methyl-5-nitro-pyrrol-2-yl)methyl]ammonium chloride Formula: C25H29ClN6O3 MolecularWeight: 496.98916

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCNC(=O)C1=CC=CC2=C(C3=C(C=CC=C3N=C21)C)N)CC4=CC=C(N4C)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CC[NH+](CCNC(=O)C1=CC=CC2=C(C3=C(C=CC=C3N=C21)C)N)CC4=CC=C(N4C)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C25H28N6O3.ClH/c1-4-30(15-17-11-12-21(29(17)3)31(33)34)14-13-27-25(32)19-9-6-8-18-23(26)22-16(2)7-5-10-20(22)28-24(18)19;/h5-12H,4,13-15H2,1-3H3,(H2,26,28)(H,27,32);1H