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

Systemtic Name: 1-[4-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethoxy]-3-methoxy-phenyl]ethanone Openeye Name: 1-[4-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethoxy]-3-methoxy-phenyl]ethanone CAS Name: 1-[4-[2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]ethoxy]-3-methoxyphenyl]ethanone IUPAC Name: 1-[4-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethoxy]-3-methoxyphenyl]ethanone Traditional Name: 1-[4-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethoxy]-3-methoxy-phenyl]ethanone Formula: C23H27N2O3S+ MolecularWeight: 411.53708

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCC[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OCC[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C23H26N2O3S/c1-16(26)18-7-8-20(21(15-18)27-2)28-14-13-25-11-9-17(10-12-25)23-24-19-5-3-4-6-22(19)29-23/h3-8,15,17H,9-14H2,1-2H3/p+1