2-[4-(2-chlorophenyl)carbonylpiperazin-1-ium-1-yl]-N-ethyl-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]ethanamide

Systemtic Name: 2-[4-(2-chlorophenyl)carbonylpiperazin-1-ium-1-yl]-N-ethyl-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]ethanamide Openeye Name: 2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-ethyl-N-[(3-fluoro-4-methoxy-phenyl)methyl]acetamide CAS Name: 2-[4-[(2-chlorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide IUPAC Name: 2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide Traditional Name: 2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-ethyl-N-(3-fluoro-4-methoxy-benzyl)acetamide Formula: C23H28ClFN3O3+ MolecularWeight: 448.938123

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OC)F)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OC)F)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C23H27ClFN3O3/c1-3-27(15-17-8-9-21(31-2)20(25)14-17)22(29)16-26-10-12-28(13-11-26)23(30)18-6-4-5-7-19(18)24/h4-9,14H,3,10-13,15-16H2,1-2H3/p+1