1-[[4-(3-phenylpropyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl]methyl]-4-pyridin-3-yl-piperidin-1-ium-4-ol

Systemtic Name: 1-[[4-(3-phenylpropyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl]methyl]-4-pyridin-3-yl-piperidin-1-ium-4-ol Openeye Name: 1-[[4-(3-phenylpropyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl]methyl]-4-(3-pyridyl)piperidin-1-ium-4-ol CAS Name: 1-[[4-(3-phenylpropyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl]methyl]-4-(3-pyridinyl)-4-piperidin-1-iumol IUPAC Name: 1-[[4-(3-phenylpropyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl]methyl]-4-pyridin-3-ylpiperidin-1-ium-4-ol Traditional Name: 1-[[4-(3-phenylpropyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl]methyl]-4-(3-pyridyl)piperidin-1-ium-4-ol Formula: C29H37N3O2+2 MolecularWeight: 459.62298

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(C2=CN=CC=C2)O)CC3=CC4=C(C=C3)OCC[NH+](C4)CCCC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1(C2=CN=CC=C2)O)CC3=CC4=C(C=C3)OCC[NH+](C4)CCCC5=CC=CC=C5

InChI

InChI=1S/C29H35N3O2/c33-29(27-9-4-14-30-21-27)12-16-32(17-13-29)22-25-10-11-28-26(20-25)23-31(18-19-34-28)15-5-8-24-6-2-1-3-7-24/h1-4,6-7,9-11,14,20-21,33H,5,8,12-13,15-19,22-23H2/p+2