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

Systemtic Name: N-[3-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3,4-dimethoxy-benzamide Openeye Name: N-[3-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3,4-dimethoxy-benzamide CAS Name: N-[3-chloro-2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-3,4-dimethoxybenzamide IUPAC Name: N-[3-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3,4-dimethoxybenzamide Traditional Name: N-[3-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3,4-dimethoxy-benzamide Formula: C21H27ClN3O3+ MolecularWeight: 404.91038

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O3/c1-4-24-10-12-25(13-11-24)20-16(22)6-5-7-17(20)23-21(26)15-8-9-18(27-2)19(14-15)28-3/h5-9,14H,4,10-13H2,1-3H3,(H,23,26)/p+1