1-azanylethyl-(9-azanyl-5-methyl-acridin-4-yl)carbonyl-ethyl-[(4-nitrophenyl)methyl]azanium bromide

Systemtic Name: 1-azanylethyl-(9-azanyl-5-methyl-acridin-4-yl)carbonyl-ethyl-[(4-nitrophenyl)methyl]azanium bromide Openeye Name: 1-aminoethyl-(9-amino-5-methyl-acridine-4-carbonyl)-ethyl-[(4-nitrophenyl)methyl]ammonium bromide CAS Name: 1-aminoethyl-[(9-amino-5-methyl-4-acridinyl)-oxomethyl]-ethyl-[(4-nitrophenyl)methyl]ammonium bromide IUPAC Name: 1-aminoethyl-(9-amino-5-methylacridine-4-carbonyl)-ethyl-[(4-nitrophenyl)methyl]azanium bromide Traditional Name: 1-aminoethyl-(9-amino-5-methyl-acridine-4-carbonyl)-ethyl-(4-nitrobenzyl)ammonium bromide Formula: C26H28BrN5O3 MolecularWeight: 538.43622

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC1=CC=C(C=C1)[N+](=O)[O-])(C(C)N)C(=O)C2=CC=CC3=C2N=C4C(=CC=CC4=C3N)C.[Br-]

Isomeric SMILES

CC[N+](CC1=CC=C(C=C1)[N+](=O)[O-])(C(C)N)C(=O)C2=CC=CC3=C2N=C4C(=CC=CC4=C3N)C.[Br-]

InChI

InChI=1S/C26H27N5O3.BrH/c1-4-31(17(3)27,15-18-11-13-19(14-12-18)30(33)34)26(32)22-10-6-9-21-23(28)20-8-5-7-16(2)24(20)29-25(21)22;/h5-14,17H,4,15,27H2,1-3H3,(H-,28,29,32);1H