2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-1,2-benzothiazol-3-one

Systemtic Name: 2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-1,2-benzothiazol-3-one Openeye Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-1,2-benzothiazol-3-one CAS Name: 2-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-1,2-benzothiazol-3-one IUPAC Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-1,2-benzothiazol-3-one Traditional Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-1,2-benzothiazol-3-one Formula: C20H23N2OS+ MolecularWeight: 339.47442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4S3

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4S3

InChI

InChI=1S/C20H22N2OS/c23-20-18-8-4-5-9-19(18)24-22(20)15-21-12-10-17(11-13-21)14-16-6-2-1-3-7-16/h1-9,17H,10-15H2/p+1