N-(2,5-diethoxyphenyl)-2-[4-(5-fluoranylbenzotriazol-1-yl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,5-diethoxyphenyl)-2-[4-(5-fluoranylbenzotriazol-1-yl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(2,5-diethoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide CAS Name: N-(2,5-diethoxyphenyl)-2-[4-(5-fluoro-1-benzotriazolyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(2,5-diethoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-(2,5-diethoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide Formula: C23H29FN5O3+ MolecularWeight: 442.506463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)NC(=O)C[NH+]2CCC(CC2)N3C4=C(C=C(C=C4)F)N=N3

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)NC(=O)C[NH+]2CCC(CC2)N3C4=C(C=C(C=C4)F)N=N3

InChI

InChI=1S/C23H28FN5O3/c1-3-31-18-6-8-22(32-4-2)20(14-18)25-23(30)15-28-11-9-17(10-12-28)29-21-7-5-16(24)13-19(21)26-27-29/h5-8,13-14,17H,3-4,9-12,15H2,1-2H3,(H,25,30)/p+1