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

Systemtic Name: 4-pyridin-3-yl-1-[[4-(quinoxalin-5-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl]methyl]piperidin-1-ium-4-ol Openeye Name: 4-(3-pyridyl)-1-[[4-(quinoxalin-5-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl]methyl]piperidin-1-ium-4-ol CAS Name: 4-(3-pyridinyl)-1-[[4-(5-quinoxalinylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl]methyl]-4-piperidin-1-iumol IUPAC Name: 4-pyridin-3-yl-1-[[4-(quinoxalin-5-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl]methyl]piperidin-1-ium-4-ol Traditional Name: 4-(3-pyridyl)-1-[[4-(quinoxalin-5-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl]methyl]piperidin-1-ium-4-ol Formula: C29H33N5O2+2 MolecularWeight: 483.60462

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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)CC5=C6C(=CC=C5)N=CC=N6

Isomeric SMILES

C1C[NH+](CCC1(C2=CN=CC=C2)O)CC3=CC4=C(C=C3)OCC[NH+](C4)CC5=C6C(=CC=C5)N=CC=N6

InChI

InChI=1S/C29H31N5O2/c35-29(25-4-2-10-30-18-25)8-13-33(14-9-29)19-22-6-7-27-24(17-22)21-34(15-16-36-27)20-23-3-1-5-26-28(23)32-12-11-31-26/h1-7,10-12,17-18,35H,8-9,13-16,19-21H2/p+2