3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]methanone

Systemtic Name: 3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]methanone Openeye Name: 3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxyphenyl]methanone CAS Name: 3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[4-[[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]oxy]phenyl]methanone IUPAC Name: 3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]methanone Traditional Name: 3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxyphenyl]methanone Formula: C27H30N3O3+ MolecularWeight: 444.5454

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1OC2=CC=C(C=C2)C(=O)N3CCOC4=CC=CC=C4C3)CC5=CC=CC=N5

Isomeric SMILES

C1C[NH+](CCC1OC2=CC=C(C=C2)C(=O)N3CCOC4=CC=CC=C4C3)CC5=CC=CC=N5

InChI

InChI=1S/C27H29N3O3/c31-27(30-17-18-32-26-7-2-1-5-22(26)19-30)21-8-10-24(11-9-21)33-25-12-15-29(16-13-25)20-23-6-3-4-14-28-23/h1-11,14,25H,12-13,15-20H2/p+1