N-(2,6-dimethylphenyl)-2-[2-(4-pentan-3-ylpyridin-1-ium-1-yl)ethanoylamino]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[2-(4-pentan-3-ylpyridin-1-ium-1-yl)ethanoylamino]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[[2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]acetyl]amino]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[[1-oxo-2-(4-pentan-3-yl-1-pyridin-1-iumyl)ethyl]amino]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[[2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetyl]amino]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[[2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]acetyl]amino]acetamide Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=CC=[N+](C=C1)CC(=O)NCC(=O)NC2=C(C=CC=C2C)C

Isomeric SMILES

CCC(CC)C1=CC=[N+](C=C1)CC(=O)NCC(=O)NC2=C(C=CC=C2C)C

InChI

InChI=1S/C22H29N3O2/c1-5-18(6-2)19-10-12-25(13-11-19)15-21(27)23-14-20(26)24-22-16(3)8-7-9-17(22)4/h7-13,18H,5-6,14-15H2,1-4H3,(H-,23,24,26,27)/p+1