N-(5-chloranyl-2-methoxy-phenyl)-2-(4-phenethylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-(4-phenethylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-2-(4-phenethylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2-(4-phenethyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-(4-phenethylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-2-(4-phenethylpiperazin-1-ium-1-yl)acetamide Formula: C21H27ClN3O2+ MolecularWeight: 388.91098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)C[NH+]2CCN(CC2)CCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)C[NH+]2CCN(CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H26ClN3O2/c1-27-20-8-7-18(22)15-19(20)23-21(26)16-25-13-11-24(12-14-25)10-9-17-5-3-2-4-6-17/h2-8,15H,9-14,16H2,1H3,(H,23,26)/p+1