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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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