methyl 2-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 2-[[2-[4-(5-methyl-1-benzotriazolyl)-1-piperidin-1-iumyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 2-[[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C22H26N5O3+ MolecularWeight: 408.47354

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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=CC=C4C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N(N=N2)C3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C22H25N5O3/c1-15-7-8-20-19(13-15)24-25-27(20)16-9-11-26(12-10-16)14-21(28)23-18-6-4-3-5-17(18)22(29)30-2/h3-8,13,16H,9-12,14H2,1-2H3,(H,23,28)/p+1