2-(1H-indol-3-yl)-1-[7-[(4-pyridin-3-yloxypiperidin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone

Systemtic Name: 2-(1H-indol-3-yl)-1-[7-[(4-pyridin-3-yloxypiperidin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Openeye Name: 2-(1H-indol-3-yl)-1-[7-[[4-(3-pyridyloxy)piperidin-1-ium-1-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone CAS Name: 2-(1H-indol-3-yl)-1-[7-[[4-(3-pyridinyloxy)-1-piperidin-1-iumyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone IUPAC Name: 2-(1H-indol-3-yl)-1-[7-[(4-pyridin-3-yloxypiperidin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Traditional Name: 2-(1H-indol-3-yl)-1-[7-[[4-(3-pyridyloxy)piperidin-1-ium-1-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Formula: C30H33N4O3+ MolecularWeight: 497.60802

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1OC2=CN=CC=C2)CC3=CC4=C(C=C3)OCCN(C4)C(=O)CC5=CNC6=CC=CC=C65

Isomeric SMILES

C1C[NH+](CCC1OC2=CN=CC=C2)CC3=CC4=C(C=C3)OCCN(C4)C(=O)CC5=CNC6=CC=CC=C65

InChI

InChI=1S/C30H32N4O3/c35-30(17-23-18-32-28-6-2-1-5-27(23)28)34-14-15-36-29-8-7-22(16-24(29)21-34)20-33-12-9-25(10-13-33)37-26-4-3-11-31-19-26/h1-8,11,16,18-19,25,32H,9-10,12-15,17,20-21H2/p+1