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

Systemtic Name: 6-ethoxy-3-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,3-benzothiazole-2-thione Openeye Name: 6-ethoxy-3-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,3-benzothiazole-2-thione CAS Name: 6-ethoxy-3-[(4-phenyl-1-piperidin-1-iumyl)methyl]-1,3-benzothiazole-2-thione IUPAC Name: 6-ethoxy-3-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,3-benzothiazole-2-thione Traditional Name: 6-ethoxy-3-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,3-benzothiazole-2-thione Formula: C21H25N2OS2+ MolecularWeight: 385.566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2OS2/c1-2-24-18-8-9-19-20(14-18)26-21(25)23(19)15-22-12-10-17(11-13-22)16-6-4-3-5-7-16/h3-9,14,17H,2,10-13,15H2,1H3/p+1