2-azanyl-4-[(6-azanyl-1-ethyl-2-methyl-quinolin-1-ium-4-yl)amino]-N-[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]benzamide diiodide

Systemtic Name: 2-azanyl-4-[(6-azanyl-1-ethyl-2-methyl-quinolin-1-ium-4-yl)amino]-N-[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]benzamide diiodide Openeye Name: 2-amino-4-[(6-amino-1-ethyl-2-methyl-quinolin-1-ium-4-yl)amino]-N-[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]benzamide diiodide CAS Name: 2-amino-4-[(6-amino-1-ethyl-2-methyl-4-quinolin-1-iumyl)amino]-N-[4-[(1-ethyl-4-pyridin-1-iumyl)amino]phenyl]benzamide diiodide IUPAC Name: 2-amino-4-[(6-amino-1-ethyl-2-methylquinolin-1-ium-4-yl)amino]-N-[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]benzamide diiodide Traditional Name: 2-amino-4-[(6-amino-1-ethyl-2-methyl-quinolin-1-ium-4-yl)amino]-N-[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]benzamide diiodide Formula: C32H35I2N7O MolecularWeight: 787.47554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)NC4=CC(=[N+](C5=C4C=C(C=C5)N)CC)C)N.[I-].[I-]

Isomeric SMILES

CC[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)NC4=CC(=[N+](C5=C4C=C(C=C5)N)CC)C)N.[I-].[I-]

InChI

InChI=1S/C32H33N7O.2HI/c1-4-38-16-14-25(15-17-38)35-23-7-9-24(10-8-23)37-32(40)27-12-11-26(20-29(27)34)36-30-18-21(3)39(5-2)31-13-6-22(33)19-28(30)31;;/h6-20H,4-5,33H2,1-3H3,(H3,34,37,40);2*1H