N-(4-methylphenyl)-2-[4-(3-oxidanylnaphthalen-2-yl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[4-(3-oxidanylnaphthalen-2-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(3-hydroxynaphthalene-2-carbonyl)piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-[(3-hydroxy-2-naphthalenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-(3-hydroxynaphthalene-2-carbonyl)piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-(3-hydroxy-2-naphthoyl)piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C24H26N3O3+ MolecularWeight: 404.48154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=CC=CC=C4C=C3O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=CC=CC=C4C=C3O

InChI

InChI=1S/C24H25N3O3/c1-17-6-8-20(9-7-17)25-23(29)16-26-10-12-27(13-11-26)24(30)21-14-18-4-2-3-5-19(18)15-22(21)28/h2-9,14-15,28H,10-13,16H2,1H3,(H,25,29)/p+1