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

Systemtic Name: 2-[(9-azanyl-5-methyl-acridin-4-yl)carbonylamino]ethyl-dimethyl-[(1-methyl-5-nitro-pyrrol-2-yl)methyl]azanium Openeye Name: 2-[(9-amino-5-methyl-acridine-4-carbonyl)amino]ethyl-dimethyl-[(1-methyl-5-nitro-pyrrol-2-yl)methyl]ammonium CAS Name: 2-[[(9-amino-5-methyl-4-acridinyl)-oxomethyl]amino]ethyl-dimethyl-[(1-methyl-5-nitro-2-pyrrolyl)methyl]ammonium IUPAC Name: 2-[(9-amino-5-methylacridine-4-carbonyl)amino]ethyl-dimethyl-[(1-methyl-5-nitropyrrol-2-yl)methyl]azanium Traditional Name: 2-[(9-amino-5-methyl-acridine-4-carbonyl)amino]ethyl-dimethyl-[(1-methyl-5-nitro-pyrrol-2-yl)methyl]ammonium Formula: C25H29N6O3+ MolecularWeight: 461.53616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C(C3=C(C(=CC=C3)C(=O)NCC[N+](C)(C)CC4=CC=C(N4C)[N+](=O)[O-])N=C12)N

Isomeric SMILES

CC1=CC=CC2=C(C3=C(C(=CC=C3)C(=O)NCC[N+](C)(C)CC4=CC=C(N4C)[N+](=O)[O-])N=C12)N

InChI

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