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

Systemtic Name: [1-(1,3-benzothiazol-2-ylmethyl)-4-(phenylmethyl)piperidin-1-ium-4-yl]methanol Openeye Name: [1-(1,3-benzothiazol-2-ylmethyl)-4-benzyl-piperidin-1-ium-4-yl]methanol CAS Name: [1-(1,3-benzothiazol-2-ylmethyl)-4-(phenylmethyl)-4-piperidin-1-iumyl]methanol IUPAC Name: [1-(1,3-benzothiazol-2-ylmethyl)-4-benzylpiperidin-1-ium-4-yl]methanol Traditional Name: [1-(1,3-benzothiazol-2-ylmethyl)-4-benzyl-piperidin-1-ium-4-yl]methanol Formula: C21H25N2OS+ MolecularWeight: 353.501

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(CC2=CC=CC=C2)CO)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[NH+](CCC1(CC2=CC=CC=C2)CO)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H24N2OS/c24-16-21(14-17-6-2-1-3-7-17)10-12-23(13-11-21)15-20-22-18-8-4-5-9-19(18)25-20/h1-9,24H,10-16H2/p+1