2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]ethanamide

Systemtic Name: 2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]ethanamide Openeye Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]acetamide CAS Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]acetamide IUPAC Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]acetamide Traditional Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]acetamide Formula: C24H31ClN3O3+ MolecularWeight: 444.97424

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)CC3=CC4=C(C(=C3)Cl)OCCCO4)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)CC3=CC4=C(C(=C3)Cl)OCCCO4)C

InChI

InChI=1S/C24H30ClN3O3/c1-3-27-7-9-28(10-8-27)19-5-6-21(17(2)13-19)26-23(29)16-18-14-20(25)24-22(15-18)30-11-4-12-31-24/h5-6,13-15H,3-4,7-12,16H2,1-2H3,(H,26,29)/p+1