5-chloranyl-2-[2-oxidanylidene-2-[4-[(1S)-1-phenylethyl]piperazin-4-ium-1-yl]ethoxy]benzamide

Systemtic Name: 5-chloranyl-2-[2-oxidanylidene-2-[4-[(1S)-1-phenylethyl]piperazin-4-ium-1-yl]ethoxy]benzamide Openeye Name: 5-chloro-2-[2-oxo-2-[4-[(1S)-1-phenylethyl]piperazin-4-ium-1-yl]ethoxy]benzamide CAS Name: 5-chloro-2-[2-oxo-2-[4-[(1S)-1-phenylethyl]-1-piperazin-4-iumyl]ethoxy]benzamide IUPAC Name: 5-chloro-2-[2-oxo-2-[4-[(1S)-1-phenylethyl]piperazin-4-ium-1-yl]ethoxy]benzamide Traditional Name: 5-chloro-2-[2-keto-2-[4-[(1S)-1-phenylethyl]piperazin-4-ium-1-yl]ethoxy]benzamide Formula: C21H25ClN3O3+ MolecularWeight: 402.8945

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH+]2CCN(CC2)C(=O)COC3=C(C=C(C=C3)Cl)C(=O)N

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)[NH+]2CCN(CC2)C(=O)COC3=C(C=C(C=C3)Cl)C(=O)N

InChI

InChI=1S/C21H24ClN3O3/c1-15(16-5-3-2-4-6-16)24-9-11-25(12-10-24)20(26)14-28-19-8-7-17(22)13-18(19)21(23)27/h2-8,13,15H,9-12,14H2,1H3,(H2,23,27)/p+1/t15-/m0/s1