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

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-(1-oxidanylnaphthalen-2-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-(1-hydroxynaphthalene-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[(1-hydroxy-2-naphthalenyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-(1-hydroxynaphthalene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-(1-hydroxy-2-naphthoyl)piperazin-1-ium-1-yl]acetamide Formula: C25H28N3O3+ MolecularWeight: 418.50812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C4=CC=CC=C4C=C3)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C4=CC=CC=C4C=C3)O)C

InChI

InChI=1S/C25H27N3O3/c1-17-6-5-9-22(18(17)2)26-23(29)16-27-12-14-28(15-13-27)25(31)21-11-10-19-7-3-4-8-20(19)24(21)30/h3-11,30H,12-16H2,1-2H3,(H,26,29)/p+1