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

Systemtic Name: 3-cyclohexyl-1-[7-[(4-pyridin-3-yloxypiperidin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one Openeye Name: 3-cyclohexyl-1-[7-[[4-(3-pyridyloxy)piperidin-1-ium-1-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one CAS Name: 3-cyclohexyl-1-[7-[[4-(3-pyridinyloxy)-1-piperidin-1-iumyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-propanone IUPAC Name: 3-cyclohexyl-1-[7-[(4-pyridin-3-yloxypiperidin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one Traditional Name: 3-cyclohexyl-1-[7-[[4-(3-pyridyloxy)piperidin-1-ium-1-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one Formula: C29H40N3O3+ MolecularWeight: 478.6462

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)N2CCOC3=C(C2)C=C(C=C3)C[NH+]4CCC(CC4)OC5=CN=CC=C5

Isomeric SMILES

C1CCC(CC1)CCC(=O)N2CCOC3=C(C2)C=C(C=C3)C[NH+]4CCC(CC4)OC5=CN=CC=C5

InChI

InChI=1S/C29H39N3O3/c33-29(11-9-23-5-2-1-3-6-23)32-17-18-34-28-10-8-24(19-25(28)22-32)21-31-15-12-26(13-16-31)35-27-7-4-14-30-20-27/h4,7-8,10,14,19-20,23,26H,1-3,5-6,9,11-13,15-18,21-22H2/p+1