ethyl 3-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 3-[[2-[4-(5-methyl-1-benzotriazolyl)-1-piperidin-1-iumyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 3-[[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetyl]amino]benzoic acid ethyl ester Formula: C23H28N5O3+ MolecularWeight: 422.50012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCC(CC2)N3C4=C(C=C(C=C4)C)N=N3

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCC(CC2)N3C4=C(C=C(C=C4)C)N=N3

InChI

InChI=1S/C23H27N5O3/c1-3-31-23(30)17-5-4-6-18(14-17)24-22(29)15-27-11-9-19(10-12-27)28-21-8-7-16(2)13-20(21)25-26-28/h4-8,13-14,19H,3,9-12,15H2,1-2H3,(H,24,29)/p+1