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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=CC=CC=C4C=C3O

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=CC=CC=C4C=C3O

InChI

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