N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]ethanamide Openeye Name: 2-(4-benzyl-1,4-diazepan-4-ium-1-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]acetamide IUPAC Name: 2-(4-benzyl-1,4-diazepan-4-ium-1-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-(4-benzyl-1,4-diazepan-4-ium-1-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)CC(=O)NC2=CC3=C(C=C2)OCCCO3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCN(C1)CC(=O)NC2=CC3=C(C=C2)OCCCO3)CC4=CC=CC=C4

InChI

InChI=1S/C23H29N3O3/c27-23(24-20-8-9-21-22(16-20)29-15-5-14-28-21)18-26-11-4-10-25(12-13-26)17-19-6-2-1-3-7-19/h1-3,6-9,16H,4-5,10-15,17-18H2,(H,24,27)/p+1