1-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]ethoxy]-3-methoxy-phenyl]ethanone

Systemtic Name: 1-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]ethoxy]-3-methoxy-phenyl]ethanone Openeye Name: 1-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]ethoxy]-3-methoxy-phenyl]ethanone CAS Name: 1-[4-[2-[4-(1,2-benzothiazol-3-yl)-1-piperazin-1-iumyl]ethoxy]-3-methoxyphenyl]ethanone IUPAC Name: 1-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]ethoxy]-3-methoxyphenyl]ethanone Traditional Name: 1-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]ethoxy]-3-methoxy-phenyl]ethanone Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCC[NH+]2CCN(CC2)C3=NSC4=CC=CC=C43)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OCC[NH+]2CCN(CC2)C3=NSC4=CC=CC=C43)OC

InChI

InChI=1S/C22H25N3O3S/c1-16(26)17-7-8-19(20(15-17)27-2)28-14-13-24-9-11-25(12-10-24)22-18-5-3-4-6-21(18)29-23-22/h3-8,15H,9-14H2,1-2H3/p+1