2-(1,2-benzoxazol-3-yl)-N-[5-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]ethanamide

Systemtic Name: 2-(1,2-benzoxazol-3-yl)-N-[5-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]ethanamide Openeye Name: 2-(1,2-benzoxazol-3-yl)-N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide CAS Name: 2-(1,2-benzoxazol-3-yl)-N-[5-chloro-2-(4-ethyl-1-piperazin-4-iumyl)phenyl]acetamide IUPAC Name: 2-(1,2-benzoxazol-3-yl)-N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide Traditional Name: N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-indoxazen-3-yl-acetamide Formula: C21H24ClN4O2+ MolecularWeight: 399.89386

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)CC3=NOC4=CC=CC=C43

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)CC3=NOC4=CC=CC=C43

InChI

InChI=1S/C21H23ClN4O2/c1-2-25-9-11-26(12-10-25)19-8-7-15(22)13-18(19)23-21(27)14-17-16-5-3-4-6-20(16)28-24-17/h3-8,13H,2,9-12,14H2,1H3,(H,23,27)/p+1