4-phenethyl-7-[(4-pyridin-3-yloxypiperidin-1-ium-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 4-phenethyl-7-[(4-pyridin-3-yloxypiperidin-1-ium-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 4-phenethyl-7-[[4-(3-pyridyloxy)piperidin-1-ium-1-yl]methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 4-phenethyl-7-[[4-(3-pyridinyloxy)-1-piperidin-1-iumyl]methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 4-phenethyl-7-[(4-pyridin-3-yloxypiperidin-1-ium-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 4-phenethyl-7-[[4-(3-pyridyloxy)piperidin-1-ium-1-yl]methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C28H35N3O2+2 MolecularWeight: 445.5964

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1OC2=CN=CC=C2)CC3=CC4=C(C=C3)OCC[NH+](C4)CCC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1OC2=CN=CC=C2)CC3=CC4=C(C=C3)OCC[NH+](C4)CCC5=CC=CC=C5

InChI

InChI=1S/C28H33N3O2/c1-2-5-23(6-3-1)10-14-31-17-18-32-28-9-8-24(19-25(28)22-31)21-30-15-11-26(12-16-30)33-27-7-4-13-29-20-27/h1-9,13,19-20,26H,10-12,14-18,21-22H2/p+2