4-methoxy-N-[(1R)-2,2,2-tris(chloranyl)-1-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide

Systemtic Name: 4-methoxy-N-[(1R)-2,2,2-tris(chloranyl)-1-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Openeye Name: 4-methoxy-N-[(1R)-2,2,2-trichloro-1-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide CAS Name: 4-methoxy-N-[(1R)-2,2,2-trichloro-1-(4-phenyl-1-piperazin-1-iumyl)ethyl]benzamide IUPAC Name: 4-methoxy-N-[(1R)-2,2,2-trichloro-1-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Traditional Name: 4-methoxy-N-[(1R)-2,2,2-trichloro-1-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Formula: C20H23Cl3N3O2+ MolecularWeight: 443.77452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N[C@@H](C(Cl)(Cl)Cl)[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C20H22Cl3N3O2/c1-28-17-9-7-15(8-10-17)18(27)24-19(20(21,22)23)26-13-11-25(12-14-26)16-5-3-2-4-6-16/h2-10,19H,11-14H2,1H3,(H,24,27)/p+1/t19-/m1/s1