[2-[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl] 3-oxidanylnaphthalene-2-carboxylate

Systemtic Name: [2-[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl] 3-oxidanylnaphthalene-2-carboxylate Openeye Name: [2-[4-[2-(dimethylamino)-2-oxo-ethyl]piperazin-4-ium-1-yl]-2-oxo-ethyl] 3-hydroxynaphthalene-2-carboxylate CAS Name: 3-hydroxy-2-naphthalenecarboxylic acid [2-[4-[2-(dimethylamino)-2-oxoethyl]-1-piperazin-4-iumyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate Traditional Name: 3-hydroxynaphthalene-2-carboxylic acid [2-[4-[2-(dimethylamino)-2-keto-ethyl]piperazin-4-ium-1-yl]-2-keto-ethyl] ester Formula: C21H26N3O5+ MolecularWeight: 400.44824

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C[NH+]1CCN(CC1)C(=O)COC(=O)C2=CC3=CC=CC=C3C=C2O

Isomeric SMILES

CN(C)C(=O)C[NH+]1CCN(CC1)C(=O)COC(=O)C2=CC3=CC=CC=C3C=C2O

InChI

InChI=1S/C21H25N3O5/c1-22(2)19(26)13-23-7-9-24(10-8-23)20(27)14-29-21(28)17-11-15-5-3-4-6-16(15)12-18(17)25/h3-6,11-12,25H,7-10,13-14H2,1-2H3/p+1