2-[4-[4-[(4-chloranylphenoxy)methyl]phenyl]carbonylpiperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[4-[(4-chloranylphenoxy)methyl]phenyl]carbonylpiperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[4-[(4-chlorophenoxy)methyl]benzoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[[4-[(4-chlorophenoxy)methyl]phenyl]-oxomethyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[4-[(4-chlorophenoxy)methyl]benzoyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[4-[(4-chlorophenoxy)methyl]benzoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C23H27ClN3O3+ MolecularWeight: 428.93178

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)COC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)COC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H26ClN3O3/c24-19-5-9-21(10-6-19)30-16-17-1-3-18(4-2-17)23(29)27-13-11-26(12-14-27)15-22(28)25-20-7-8-20/h1-6,9-10,20H,7-8,11-16H2,(H,25,28)/p+1