N-(2-ethoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide CAS Name: N-(2-ethoxyphenyl)-2-[4-(5-methyl-1-benzotriazolyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(2-ethoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-o-phenetyl-acetamide Formula: C22H28N5O2+ MolecularWeight: 394.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C[NH+]2CCC(CC2)N3C4=C(C=C(C=C4)C)N=N3

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C[NH+]2CCC(CC2)N3C4=C(C=C(C=C4)C)N=N3

InChI

InChI=1S/C22H27N5O2/c1-3-29-21-7-5-4-6-18(21)23-22(28)15-26-12-10-17(11-13-26)27-20-9-8-16(2)14-19(20)24-25-27/h4-9,14,17H,3,10-13,15H2,1-2H3,(H,23,28)/p+1