N-[3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-ethoxy-benzamide

Systemtic Name: N-[3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-ethoxy-benzamide Openeye Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-ethoxy-benzamide CAS Name: N-[3-chloro-4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-3-ethoxybenzamide IUPAC Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-ethoxybenzamide Traditional Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-ethoxy-benzamide Formula: C21H27ClN3O2+ MolecularWeight: 388.91098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O2/c1-3-24-10-12-25(13-11-24)20-9-8-17(15-19(20)22)23-21(26)16-6-5-7-18(14-16)27-4-2/h5-9,14-15H,3-4,10-13H2,1-2H3,(H,23,26)/p+1