2-[4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperazin-1-ium-1-yl]ethyl naphthalene-1-carboxylate

Systemtic Name: 2-[4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperazin-1-ium-1-yl]ethyl naphthalene-1-carboxylate Openeye Name: 2-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]ethyl naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic acid 2-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)-1-piperazin-1-iumyl]ethyl ester IUPAC Name: 2-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]ethyl naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid 2-[4-(1,1-diketo-1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]ethyl ester Formula: C24H24N3O4S+ MolecularWeight: 450.53006

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC(=O)C2=CC=CC3=CC=CC=C32)C4=NS(=O)(=O)C5=CC=CC=C54

Isomeric SMILES

C1CN(CC[NH+]1CCOC(=O)C2=CC=CC3=CC=CC=C32)C4=NS(=O)(=O)C5=CC=CC=C54

InChI

InChI=1S/C24H23N3O4S/c28-24(20-10-5-7-18-6-1-2-8-19(18)20)31-17-16-26-12-14-27(15-13-26)23-21-9-3-4-11-22(21)32(29,30)25-23/h1-11H,12-17H2/p+1