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

Systemtic Name: 1-[3-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-ethoxy-phenyl]ethanone Openeye Name: 1-[3-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-ethoxy-phenyl]ethanone CAS Name: 1-[3-[[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-4-ethoxyphenyl]ethanone IUPAC Name: 1-[3-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-ethoxyphenyl]ethanone Traditional Name: 1-[3-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-ethoxy-phenyl]ethanone Formula: C23H27N2O2S+ MolecularWeight: 395.53768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)C[NH+]2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)C[NH+]2CCC[C@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H26N2O2S/c1-3-27-21-11-10-17(16(2)26)13-19(21)15-25-12-6-7-18(14-25)23-24-20-8-4-5-9-22(20)28-23/h4-5,8-11,13,18H,3,6-7,12,14-15H2,1-2H3/p+1/t18-/m1/s1