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

Systemtic Name: N-(2-chlorophenyl)-2-[4-(4-propan-2-ylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-(4-isopropylbenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-[oxo-(4-propan-2-ylphenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-(4-cumoylpiperazin-1-ium-1-yl)acetamide Formula: C22H27ClN3O2+ MolecularWeight: 400.92168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O2/c1-16(2)17-7-9-18(10-8-17)22(28)26-13-11-25(12-14-26)15-21(27)24-20-6-4-3-5-19(20)23/h3-10,16H,11-15H2,1-2H3,(H,24,27)/p+1