N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-(5-methyl-1-benzotriazolyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide Formula: C23H27N6O2S+ MolecularWeight: 451.56448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C[NH+]3CCC(CC3)N4C5=C(C=C(C=C5)C)N=N4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C[NH+]3CCC(CC3)N4C5=C(C=C(C=C5)C)N=N4

InChI

InChI=1S/C23H26N6O2S/c1-3-31-17-5-6-18-21(13-17)32-23(24-18)25-22(30)14-28-10-8-16(9-11-28)29-20-7-4-15(2)12-19(20)26-27-29/h4-7,12-13,16H,3,8-11,14H2,1-2H3,(H,24,25,30)/p+1