N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C21H25ClN3O4+ MolecularWeight: 418.8939

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O4/c22-17-12-19-20(29-11-1-10-28-19)13-18(17)23-21(27)14-24-6-8-25(9-7-24)15-2-4-16(26)5-3-15/h2-5,12-13,26H,1,6-11,14H2,(H,23,27)/p+1