[1-(1,3-benzothiazol-2-ylmethyl)-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methanol

Systemtic Name: [1-(1,3-benzothiazol-2-ylmethyl)-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methanol Openeye Name: [1-(1,3-benzothiazol-2-ylmethyl)-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methanol CAS Name: [1-(1,3-benzothiazol-2-ylmethyl)-4-[(3-methoxyphenyl)methyl]-4-piperidin-1-iumyl]methanol IUPAC Name: [1-(1,3-benzothiazol-2-ylmethyl)-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methanol Traditional Name: [1-(1,3-benzothiazol-2-ylmethyl)-4-m-anisyl-piperidin-1-ium-4-yl]methanol Formula: C22H27N2O2S+ MolecularWeight: 383.52698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC2(CC[NH+](CC2)CC3=NC4=CC=CC=C4S3)CO

Isomeric SMILES

COC1=CC=CC(=C1)CC2(CC[NH+](CC2)CC3=NC4=CC=CC=C4S3)CO

InChI

InChI=1S/C22H26N2O2S/c1-26-18-6-4-5-17(13-18)14-22(16-25)9-11-24(12-10-22)15-21-23-19-7-2-3-8-20(19)27-21/h2-8,13,25H,9-12,14-16H2,1H3/p+1