6-ethoxy-3-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-1,3-benzothiazole-2-thione

Systemtic Name: 6-ethoxy-3-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-1,3-benzothiazole-2-thione Openeye Name: 3-[(4-benzylpiperidin-1-ium-1-yl)methyl]-6-ethoxy-1,3-benzothiazole-2-thione CAS Name: 6-ethoxy-3-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-1,3-benzothiazole-2-thione IUPAC Name: 3-[(4-benzylpiperidin-1-ium-1-yl)methyl]-6-ethoxy-1,3-benzothiazole-2-thione Traditional Name: 3-[(4-benzylpiperidin-1-ium-1-yl)methyl]-6-ethoxy-1,3-benzothiazole-2-thione Formula: C22H27N2OS2+ MolecularWeight: 399.59258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=S)S2)C[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=S)S2)C[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H26N2OS2/c1-2-25-19-8-9-20-21(15-19)27-22(26)24(20)16-23-12-10-18(11-13-23)14-17-6-4-3-5-7-17/h3-9,15,18H,2,10-14,16H2,1H3/p+1