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

Systemtic Name: 1-[3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-methoxy-phenyl]ethanone Openeye Name: 1-[3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-methoxy-phenyl]ethanone CAS Name: 1-[3-[[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-4-methoxyphenyl]ethanone IUPAC Name: 1-[3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-methoxyphenyl]ethanone Traditional Name: 1-[3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-methoxy-phenyl]ethanone Formula: C22H25N2O2S+ MolecularWeight: 381.5111

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O2S/c1-15(25)17-7-8-20(26-2)18(13-17)14-24-11-9-16(10-12-24)22-23-19-5-3-4-6-21(19)27-22/h3-8,13,16H,9-12,14H2,1-2H3/p+1