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

Systemtic Name: N-[3-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3,4,5-triethoxy-benzamide Openeye Name: N-[3-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3,4,5-triethoxy-benzamide CAS Name: N-[3-chloro-2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[3-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3,4,5-triethoxybenzamide Traditional Name: N-[3-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3,4,5-triethoxy-benzamide Formula: C25H35ClN3O4+ MolecularWeight: 477.0161

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)C3=CC(=C(C(=C3)OCC)OCC)OCC

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)C3=CC(=C(C(=C3)OCC)OCC)OCC

InChI

InChI=1S/C25H34ClN3O4/c1-5-28-12-14-29(15-13-28)23-19(26)10-9-11-20(23)27-25(30)18-16-21(31-6-2)24(33-8-4)22(17-18)32-7-3/h9-11,16-17H,5-8,12-15H2,1-4H3,(H,27,30)/p+1