4-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylate

Systemtic Name: 4-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylate Openeye Name: 4-[(4-acetylpiperazin-1-ium-1-yl)methyl]-3-hydroxy-naphthalene-2-carboxylate CAS Name: 4-[(4-acetyl-1-piperazin-1-iumyl)methyl]-3-hydroxy-2-naphthalenecarboxylate IUPAC Name: 4-[(4-acetylpiperazin-1-ium-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylate Traditional Name: 4-[(4-acetylpiperazin-1-ium-1-yl)methyl]-3-hydroxy-2-naphthoate Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC2=C(C(=CC3=CC=CC=C32)C(=O)[O-])O

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC2=C(C(=CC3=CC=CC=C32)C(=O)[O-])O

InChI

InChI=1S/C18H20N2O4/c1-12(21)20-8-6-19(7-9-20)11-16-14-5-3-2-4-13(14)10-15(17(16)22)18(23)24/h2-5,10,22H,6-9,11H2,1H3,(H,23,24)