N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4)OC1

InChI

InChI=1S/C21H25N3O3/c25-21(22-17-7-8-19-20(15-17)27-14-4-13-26-19)16-23-9-11-24(12-10-23)18-5-2-1-3-6-18/h1-3,5-8,15H,4,9-14,16H2,(H,22,25)/p+1