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

Systemtic Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-(4-pyrazin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-(4-pyrazin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-[4-(2-pyrazinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-(4-pyrazin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-(4-pyrazin-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C23H32N5O3+ MolecularWeight: 426.53188

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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)C4=NC=CN=C4

Isomeric SMILES

CC(C)[C@@H](C1=CC2=C(C=C1)OCCCO2)NC(=O)C[NH+]3CCN(CC3)C4=NC=CN=C4

InChI

InChI=1S/C23H31N5O3/c1-17(2)23(18-4-5-19-20(14-18)31-13-3-12-30-19)26-22(29)16-27-8-10-28(11-9-27)21-15-24-6-7-25-21/h4-7,14-15,17,23H,3,8-13,16H2,1-2H3,(H,26,29)/p+1/t23-/m0/s1