[4-azanyl-6-[(3-bromanyl-4-methoxy-phenyl)amino]-1,3,5-triazin-2-yl]-cycloheptyl-methyl-(1-methylpiperidin-4-yl)azanium

Systemtic Name: [4-azanyl-6-[(3-bromanyl-4-methoxy-phenyl)amino]-1,3,5-triazin-2-yl]-cycloheptyl-methyl-(1-methylpiperidin-4-yl)azanium Openeye Name: [4-amino-6-(3-bromo-4-methoxy-anilino)-1,3,5-triazin-2-yl]-cycloheptyl-methyl-(1-methyl-4-piperidyl)ammonium CAS Name: [4-amino-6-(3-bromo-4-methoxyanilino)-1,3,5-triazin-2-yl]-cycloheptyl-methyl-(1-methyl-4-piperidinyl)ammonium IUPAC Name: [4-amino-6-(3-bromo-4-methoxyanilino)-1,3,5-triazin-2-yl]-cycloheptyl-methyl-(1-methylpiperidin-4-yl)azanium Traditional Name: [4-amino-6-(3-bromo-4-methoxy-anilino)-s-triazin-2-yl]-cycloheptyl-methyl-(1-methyl-4-piperidyl)ammonium Formula: C24H37BrN7O+ MolecularWeight: 519.50088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)[N+](C)(C2CCCCCC2)C3=NC(=NC(=N3)NC4=CC(=C(C=C4)OC)Br)N

Isomeric SMILES

CN1CCC(CC1)[N+](C)(C2CCCCCC2)C3=NC(=NC(=N3)NC4=CC(=C(C=C4)OC)Br)N

InChI

InChI=1S/C24H37BrN7O/c1-31-14-12-19(13-15-31)32(2,18-8-6-4-5-7-9-18)24-29-22(26)28-23(30-24)27-17-10-11-21(33-3)20(25)16-17/h10-11,16,18-19H,4-9,12-15H2,1-3H3,(H3,26,27,28,29,30)/q+1