N-(4-butylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-butylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-butylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-butylphenyl)-2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-butylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-butylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide Formula: C22H29ClN3O+ MolecularWeight: 386.93816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H28ClN3O/c1-2-3-5-18-8-10-20(11-9-18)24-22(27)17-25-12-14-26(15-13-25)21-7-4-6-19(23)16-21/h4,6-11,16H,2-3,5,12-15,17H2,1H3,(H,24,27)/p+1