1,4-bis(oxidanyl)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]naphthalene-2-carboxylate

Systemtic Name: 1,4-bis(oxidanyl)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]naphthalene-2-carboxylate Openeye Name: 1,4-dihydroxy-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]naphthalene-2-carboxylate CAS Name: 1,4-dihydroxy-3-[(4-phenyl-1-piperazin-1-iumyl)methyl]-2-naphthalenecarboxylate IUPAC Name: 1,4-dihydroxy-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]naphthalene-2-carboxylate Traditional Name: 1,4-dihydroxy-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-2-naphthoate Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C3=CC=CC=C3C(=C2C(=O)[O-])O)O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C3=CC=CC=C3C(=C2C(=O)[O-])O)O)C4=CC=CC=C4

InChI

InChI=1S/C22H22N2O4/c25-20-16-8-4-5-9-17(16)21(26)19(22(27)28)18(20)14-23-10-12-24(13-11-23)15-6-2-1-3-7-15/h1-9,25-26H,10-14H2,(H,27,28)