3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[1-[1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]methanone

Systemtic Name: 3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[1-[1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]methanone Openeye Name: 3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[1-[1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]methanone CAS Name: 3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[1-[1-[(6-methyl-2-pyridinyl)methyl]-4-piperidin-1-iumyl]-4-piperidin-1-iumyl]methanone IUPAC Name: 3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[1-[1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]methanone Traditional Name: 3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[1-[1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]methanone Formula: C27H38N4O2+2 MolecularWeight: 450.61622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)N4CCOC5=CC=CC=C5C4

Isomeric SMILES

CC1=NC(=CC=C1)C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)N4CCOC5=CC=CC=C5C4

InChI

InChI=1S/C27H36N4O2/c1-21-5-4-7-24(28-21)20-29-13-11-25(12-14-29)30-15-9-22(10-16-30)27(32)31-17-18-33-26-8-3-2-6-23(26)19-31/h2-8,22,25H,9-20H2,1H3/p+2