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

Systemtic Name: N-(2,4-dimethoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(2,4-dimethoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide CAS Name: N-(2,4-dimethoxyphenyl)-2-[4-(5-methyl-1-benzotriazolyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(2,4-dimethoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-(2,4-dimethoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide Formula: C22H28N5O3+ MolecularWeight: 410.48942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(N=N2)C3CC[NH+](CC3)CC(=O)NC4=C(C=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N(N=N2)C3CC[NH+](CC3)CC(=O)NC4=C(C=C(C=C4)OC)OC

InChI

InChI=1S/C22H27N5O3/c1-15-4-7-20-19(12-15)24-25-27(20)16-8-10-26(11-9-16)14-22(28)23-18-6-5-17(29-2)13-21(18)30-3/h4-7,12-13,16H,8-11,14H2,1-3H3,(H,23,28)/p+1