2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(5-chloranyl-2-methoxy-phenyl)ethanamide

Systemtic Name: 2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(5-chloranyl-2-methoxy-phenyl)ethanamide Openeye Name: 2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(5-chloro-2-methoxy-phenyl)acetamide CAS Name: 2-[4-(1-benzotriazolyl)-1-piperidin-1-iumyl]-N-(5-chloro-2-methoxyphenyl)acetamide IUPAC Name: 2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide Traditional Name: 2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(5-chloro-2-methoxy-phenyl)acetamide Formula: C20H23ClN5O2+ MolecularWeight: 400.88192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)C[NH+]2CCC(CC2)N3C4=CC=CC=C4N=N3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)C[NH+]2CCC(CC2)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H22ClN5O2/c1-28-19-7-6-14(21)12-17(19)22-20(27)13-25-10-8-15(9-11-25)26-18-5-3-2-4-16(18)23-24-26/h2-7,12,15H,8-11,13H2,1H3,(H,22,27)/p+1