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

Systemtic Name: 1-azanylethyl-(9-azanyl-5-methyl-acridin-4-yl)carbonyl-ethyl-[(2-nitrophenyl)methyl]azanium Openeye Name: 1-aminoethyl-(9-amino-5-methyl-acridine-4-carbonyl)-ethyl-[(2-nitrophenyl)methyl]ammonium CAS Name: 1-aminoethyl-[(9-amino-5-methyl-4-acridinyl)-oxomethyl]-ethyl-[(2-nitrophenyl)methyl]ammonium IUPAC Name: 1-aminoethyl-(9-amino-5-methylacridine-4-carbonyl)-ethyl-[(2-nitrophenyl)methyl]azanium Traditional Name: 1-aminoethyl-(9-amino-5-methyl-acridine-4-carbonyl)-ethyl-(2-nitrobenzyl)ammonium Formula: C26H28N5O3+ MolecularWeight: 458.53222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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