N-(3-chloranyl-4-methyl-phenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide CAS Name: N-(3-chloro-4-methylphenyl)-2-[4-(5-methyl-1-benzotriazolyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide Formula: C21H25ClN5O+ MolecularWeight: 398.9091

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN5O/c1-14-3-6-20-19(11-14)24-25-27(20)17-7-9-26(10-8-17)13-21(28)23-16-5-4-15(2)18(22)12-16/h3-6,11-12,17H,7-10,13H2,1-2H3,(H,23,28)/p+1