2-[4-(4-butylphenyl)carbonylpiperazin-1-ium-1-yl]-N-(2-chlorophenyl)ethanamide

Systemtic Name: 2-[4-(4-butylphenyl)carbonylpiperazin-1-ium-1-yl]-N-(2-chlorophenyl)ethanamide Openeye Name: 2-[4-(4-butylbenzoyl)piperazin-1-ium-1-yl]-N-(2-chlorophenyl)acetamide CAS Name: 2-[4-[(4-butylphenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(2-chlorophenyl)acetamide IUPAC Name: 2-[4-(4-butylbenzoyl)piperazin-1-ium-1-yl]-N-(2-chlorophenyl)acetamide Traditional Name: 2-[4-(4-butylbenzoyl)piperazin-1-ium-1-yl]-N-(2-chlorophenyl)acetamide Formula: C23H29ClN3O2+ MolecularWeight: 414.94826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C23H28ClN3O2/c1-2-3-6-18-9-11-19(12-10-18)23(29)27-15-13-26(14-16-27)17-22(28)25-21-8-5-4-7-20(21)24/h4-5,7-12H,2-3,6,13-17H2,1H3,(H,25,28)/p+1