4-[(3,4-dichlorophenyl)methyl]-N-(3-ethanoylphenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(3,4-dichlorophenyl)methyl]-N-(3-ethanoylphenyl)piperazin-4-ium-1-carboxamide Openeye Name: N-(3-acetylphenyl)-4-[(3,4-dichlorophenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: N-(3-acetylphenyl)-4-[(3,4-dichlorophenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(3-acetylphenyl)-4-[(3,4-dichlorophenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(3-acetylphenyl)-4-(3,4-dichlorobenzyl)piperazin-4-ium-1-carboxamide Formula: C20H22Cl2N3O2+ MolecularWeight: 407.31358

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H21Cl2N3O2/c1-14(26)16-3-2-4-17(12-16)23-20(27)25-9-7-24(8-10-25)13-15-5-6-18(21)19(22)11-15/h2-6,11-12H,7-10,13H2,1H3,(H,23,27)/p+1