butyl 4-[2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(5-ethyl-2-methyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(5-ethyl-2-methylpyridin-1-ium-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)acetyl]amino]benzoic acid butyl ester Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C[N+]2=C(C=CC(=C2)CC)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C[N+]2=C(C=CC(=C2)CC)C

InChI

InChI=1S/C21H26N2O3/c1-4-6-13-26-21(25)18-9-11-19(12-10-18)22-20(24)15-23-14-17(5-2)8-7-16(23)3/h7-12,14H,4-6,13,15H2,1-3H3/p+1