N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanamide Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]acetamide CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]acetamide IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]acetamide Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]acetamide Formula: C21H32N3O4+ MolecularWeight: 390.49648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCCCO2)NC(=O)C[NH+]3CCN(CC3)C(=O)C

Isomeric SMILES

CC(C)[C@H](C1=CC2=C(C=C1)OCCCO2)NC(=O)C[NH+]3CCN(CC3)C(=O)C

InChI

InChI=1S/C21H31N3O4/c1-15(2)21(17-5-6-18-19(13-17)28-12-4-11-27-18)22-20(26)14-23-7-9-24(10-8-23)16(3)25/h5-6,13,15,21H,4,7-12,14H2,1-3H3,(H,22,26)/p+1/t21-/m1/s1