2-[4-[[4-(naphthalen-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl]methyl]piperazin-4-ium-1-yl]ethanol

Systemtic Name: 2-[4-[[4-(naphthalen-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl]methyl]piperazin-4-ium-1-yl]ethanol Openeye Name: 2-[4-[[4-(2-naphthylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl]methyl]piperazin-4-ium-1-yl]ethanol CAS Name: 2-[4-[[4-(2-naphthalenylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl]methyl]-1-piperazin-4-iumyl]ethanol IUPAC Name: 2-[4-[[4-(naphthalen-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl]methyl]piperazin-4-ium-1-yl]ethanol Traditional Name: 2-[4-[[4-(2-naphthylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl]methyl]piperazin-4-ium-1-yl]ethanol Formula: C27H35N3O2+2 MolecularWeight: 433.5857

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCC[NH+](C3)CC4=CC5=CC=CC=C5C=C4)CCO

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCC[NH+](C3)CC4=CC5=CC=CC=C5C=C4)CCO

InChI

InChI=1S/C27H33N3O2/c31-15-13-28-9-11-29(12-10-28)19-23-6-8-27-26(18-23)21-30(14-16-32-27)20-22-5-7-24-3-1-2-4-25(24)17-22/h1-8,17-18,31H,9-16,19-21H2/p+2